U.S. Environmental Protection Agency
Hazard Characterization Document
September, 2014
SCREENING-LEVEL HAZARD CHARACTERIZATION
Linear and Branched Alkylbenzene Sulfonic Acids and Derivatives Category
SPONSORED CHEMICALS
See Appendix
SUPPORTING CHEMICALS
See Appendix
The High Production Volume (HPV) Challenge Program1 was conceived as a voluntary initiative
aimed at developing and making publicly available screening-level health and environmental
effects information on chemicals manufactured in or imported into the United States in quantities
greater than one million pounds per year. In the Challenge Program, producers and importers of
HPV chemicals voluntarily sponsored chemicals; sponsorship entailed the identification and
initial assessment of the adequacy of existing toxicity data/information, conducting new testing if
adequate data did not exist, and making both new and existing data and information available to
the public. Each complete data submission contains data on 18 internationally agreed to "SIDS"
(Screening Information Data Setl'2) endpoints that are screening-level indicators of potential
hazards (toxicity) for humans or the environment.
The Environmental Protection Agency's Office of Pollution Prevention and Toxics (OPPT) is
evaluating the data submitted in the HPV Challenge Program on approximately 1400 sponsored
chemicals by developing hazard characterizations (HCs). These HCs consist of an evaluation of
the quality and completeness of the data set provided in the Challenge Program submissions.
They are not intended to be definitive statements regarding the possibility of unreasonable risk of
injury to health or the environment.
The evaluation is performed according to established EPA guidance2'3 and is based primarily on
hazard data provided by sponsors; however, in preparing the hazard characterization, EPA
considered its own comments and public comments on the original submission as well as the
sponsor's responses to comments and revisions made to the submission. In order to determine
whether any new hazard information was developed since the time of the HPV submission, a
search of the following databases was made from one year prior to the date of the HPV
Challenge submission to the present: (ChemID to locate available data sources including
Medline/PubMed, Toxline, HSDB, IRIS, NTP, AT SDR, IARC, EXTOXNET, EPA SRS, etc.),
STN/CAS online databases (Registry file for locators, ChemAbs for toxicology data, RTECS,
Merck, etc.),Science Direct and ECHA4. OPPT's focus on these specific sources is based on
their being of high quality, highly relevant to hazard characterization, and publicly available.
1	U.S. EPA. High Production Volume (HPV) Challenge Program; http://www.epa.gov/chemrtk/index.htm.
2	U.S. EPA. HPV Challenge Program - Information Sources; http://www.epa.gov/chemrtk/pubs/general/guidocs.htm.
3	U.S. EPA. Risk Assessment Guidelines; http://cfpub.epa.gov/ncea/raf/rafguid.cfm.
4European Chemicals Agency, http://echa.europa.eu

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OPPT may not develop HCs for those HPV chemicals which have recently been assessed and
published internationally through the HPV program of the Organization for Economic
Cooperation and Development (OECD) and for which Screening Initial Data Set (SIDS) Initial
Assessment Reports (SIAR) and SIDS Initial Assessment Profiles (SIAP) are available. These
documents are presented in an international forum that involves review and endorsement by
governmental authorities around the world. OPPT is an active participant in these meetings and
accepts these documents as reliable screening-level hazard assessments. HCs may be created if
new data suggest a need to update the case work where the OECD document will be used as key
support documentation.
These hazard characterizations are technical documents intended to inform subsequent decisions
and actions by OPPT. Accordingly, the documents are not written with the goal of informing the
general public. However, they do provide a vehicle for public access to a concise assessment of
the raw technical data on HPV chemicals and provide information previously not readily
available to the public.
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Chemical Abstract
Service Registry Number
	(CASRN)	
See Appendix
Chemical Abstract Index
Name
See Appendix
Structural Formula
See Appendix
Summary
The linear and branched alkylbenzene sulfonic acids and derivatives category (LAS) contain
substances that are solids and substances that are liquids. The members of this category
possess negligible vapor pressure and tend to be dispersible in water. These substances are
expected to possess low to moderate mobility in soil. Volatilization is expected to be
negligible given that the substances are ionic compounds or compounds that dissociate
producing an anion in water. Hydrolysis is expected to be negligible since the substances in
this category do not contain functional groups that hydrolyze. The compounds in the LAS
category tend to be readily biodegradable and biodegrade both aerobically and anaerobically.
Based on measured data, they are expected to possess both low persistence (PI) and low
bioaccumulation potential (Bl).
Human Health Hazard
For the human health endpoints, the LAS category has been split into two subcategories: (1)
acids and sodium/amine salts and (2) calcium salts. There are six sponsored chemicals in the
acid/sodium/amine salts subcategory (with two supporting chemicals) and three sponsored
chemicals in the calcium salts subcategory (with one supporting chemical).
Subcategory 1: LAS: Acids and Sodium/A mine Salt Derivatives
Acute oral toxicity data with rats exist for five of the six sponsored chemicals (CASRNs
68411-32-5, 68608-88-8, 90218-35-2, 27323-41-7 and 26264-05-1) in this subcategory and for
both supporting chemicals (CASRNs 68411-30-3 and 42615-29-2); and all data suggest low
toxicity. The acute dermal toxicity of CASRN 27323-41-7 in rabbits is low. An acute
inhalation study in rats with an analog that was not a supporting chemical (CASRN 25155-30-
0) was high.
There were no repeated-dose toxicity tests with any sponsored category member; however,
there were such studies with the two supporting chemicals. In a 28-day study with CASRN
42615-29-2, monkeys were simultaneously exposed to the test chemical using two routes of
exposure (gavage and subcutaneous routes). Clinical signs (vomiting, diarrhea) were observed
at -62 mg/kg-day, resulting in a NOAEL of ~31 mg/kg-day. The supporting chemical,
CASRN 68411-30-3, was evaluated in rats (gavage, one month) and mice (dietary or via
drinking water; both for nine months). In the rat study, effects were observed (reductions in
body weight, liver/spleen weight changes, changes in clinical chemistry values indicative of
liver damage) at 500 mg/kg-day; the NOAEL was -250 mg/kg-day. In the mouse studies,
very minor effects were observed which were not considered adverse; the NOAEL was greater
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than 1000 mg/kg-bw/day (dietary study, highest dose tested) and greater than 600 mg/kg-
bw/day (drinking water study, highest dose tested).
No reproductive toxicity studies were available for sponsored category members or supporting
chemicals. In the repeated-dose studies, it is not clear whether reproductive organs were
evaluated.
No acceptable developmental toxicity studies were available for sponsored category members.
Oral and dermal studies with CASRNs 42615-29-2 were conducted in three species (rabbits,
mice and rats). In the oral studies, maternal toxicity in all species was severe with mortality
occurring at 300 mg/kg-day (rabbits and mice) and 600 mg/kg-day (rats). The NOAEL for
maternal toxicity for the oral developmental toxicity studies was 2 mg/kg-day (mice and
rabbits) and 300 mg/kg-day (rats). Developmental toxicity was seen in all oral studies except
for the rat study with CASRN 42615-29-2 (no effects seen at the highest tested dose of 600
mg/kg-day). In the other studies, litter loss was observed (rabbit and mouse), both at 300
mg/kg-day; the NOAEL for developmental toxicity was 2 mg/kg-day.
The dermal developmental toxicity studies had either unusual protocols (i.e., only 30 minutes
of exposure) or no protocol details provided. Thus, although data are presented in this
document and effects were observed, NOAELs/LOAELs were not determined. There was no
maternal mortality, but in all cases there were local irritation effects from exposure to the test
chemical. Systemic maternal toxicity was observed as reductions in body weight gain (rabbits
and mice). Developmental toxicity was observed as increases in pre- and post implantation
losses and decreases in number of live fetuses (rabbits and mice).
There were no genotoxicity studies with any sponsored category members. No mutagenicity
was observed in two separate bacterial mutagenicity assays conducted with two different
supporting chemicals (CASRNs 42615-29-2 and 68411-30-3). CASRN 26264-05-1
(sponsored chemical) was irritating to both the skin and eye in rabbits; and sponsored chemical
CASRN
27323-41-7 was irritating to rabbit skin.
The reproductive and genetic toxicity (chromosomal aberrations) endpoints were identified as
data gaps for Subcategory 1 category members.
Subcategory 2: LAS: Calcium Salts
There were no data on any health endpoint with any of the three sponsored category members
(CASRNs 68953-96-8, 70528-83-5, and 26264-06-2).
In a two generation rat reproduction study with the supporting chemical, CASRN
68584-26-9, no parental systemic toxicity was observed; however, there was a decrease in pup
body weight gain at 103 mg/kg-day. The NOAEL for reproductive toxicity is 50 mg/kg-day.
In an oral prenatal developmental toxicity study in rabbits with the supporting chemical
CASRN 68584-26-9, the NOAEL for maternal toxicity was not established because toxicity
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(decreased body weight gain) was seen at all doses; the lowest dose tested was 60 mg/kg-d.
Developmental toxicity was observed as a decreased number of live fetuses at 125 mg/kg-day;
the NOAEL for developmental toxicity is 60 mg/kg-day.
The acute toxicity, repeated-dose and genetic toxicity (gene mutations and chromosomal
aberrations) endpoints were identified as data gaps for Subcategory 2 category members.
Hazard to the Environment
For the linear and branched alkylbenzene sulfonic acids and derivatives category, all
sponsored chemicals were treated as one category. The 96-h LCso for acute toxicity to fish is
20 mg/L and the 48-h EC so for acute toxicity to aquatic invertebrates is 2.2 mg/L. The 72-h
ECso for toxicity to aquatic plants is 20 mg/L for biomass and 82 mg/L for growth rate.
No environmental data gaps were identified under the HPV Challenge Program.	
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The sponsor, the Soap and Detergent Association (SDA) Linear Alkylbenzene Sulfonate
(LAS)/Alkyl Benzene Sulfonate (ABS) Consortium, submitted a Test Plan and Robust
Summaries to EPA for linear alkylbenzene sulfonic acids on May 20, 2003. EPA posted the
submission on the ChemRTK HPV Challenge website
(http://www.epa.gov/oppt/chemrtk/pubs/summaries/alkybenz/cl4187tc.htm). Public comments
were also received and posted to the website. The sponsor submitted updated/revised documents
on April 15, 2008, which were posted to the ChemRTK website on June 5, 2008.
Category Justification
The linear and branched alkylbenzene sulfonic acids and derivatives category consists of three
linear and six nonlinear or branched alkylbenzene sulfonates (collectively called "LAS" in this
hazard characterization) with molecules characterized by hydrophobic (apolar) and a hydrophilic
(polar) group. Category members are mixtures of closely related isomers and homologues. Each
molecule contains an aromatic ring sulfonated at the para position and attached to either a linear
or a branched alkyl chain at any position except the terminal carbons. Determination of phenyl
attachment is largely based on the method of catalysis used to form the LAS structures. Chain
lengths vary, but are predominately in the range of C10 - C14; with C10 + CI 1 reflecting > 50%
of a mixture and C10+C11+C12 > 85% (see Table 4.2 in revised test plan:
http://www.epa.gov/oppt/chemrtk/pubs/summaries/alkvbenz/cl4187rt.pdf).
The sponsor explained that, because of nomenclature modifications, two of the sponsored
chemicals were identified by additional chemical names (commercial synonyms) and CAS
numbers.
•	The commercial substance, benzenesulphonic acid, dodecyl- compd with 2-propanamine
(sponsored CASRN 26264-05-1), is also known as benzenesulfonic acid, CIO - 16-alkyl
derivs., compds. with 2-propanamine, linear (synonymous CASRN 68584-24-7) and
benzenesulfonic acid, dodecyl-,branched, compds. with 2-propanamine, branched
(sponsored CASRN 90218-35-2).
•	The commercial substance, benzenesulfonic acid, dodecyl-, compd. with 2,2',2"-
nitrilotris[ethanol](l:l) (sponsored CASRN 27323-41-7), is also known as
benzenesulfonic acid, CIO - 13-alkyl derives., compds. with triethanolamine, linear
(synonymous) CASRN 68411-31-4) and benzenesulfonic acid, dodecyl, branched,
compds. with triethanolamine, branched (synonymous CASRN 70528-84-6).
These commercial synonyms are not chemical synonyms and, in fact, the chemicals represented
by the commercial synonyms are not chemically identical to the original sponsored chemicals.
Therefore, the CAS numbers representing these chemicals were not considered synonyms in this
hazard characterization.
The sponsor proposes that the nine sponsored chemicals - three linear and six branched - be
considered a single category on the basis of comparable/predictable physico-chemical,
environmental fate and toxicological properties. Given the information in the 2008 revised Test
Plan - plus a number of category assessments which have been done over the years (see
information below under "Other. Related Information" for identification and links to these
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documents) - EPA believes combining the linear and branched alkylbenzene sulfonates is
reasonable for the environmental endpoints only. EPA further believes the linear and branched
members should be separated for the physical/chemical and environmental fate endpoints (based
primarily on the potential for differences in biodegradation based on the extent and type of
branching that may be present). Finally, for the human health endpoints, EPA has divided the
category according to the type of cation present. EPA's experience evaluating TSCA
Premanufacture Notice (PMNs) submissions suggests that there would not be differences
between the linear and branched category members, whereas there may be differences due to
cation type. Thus, for human health there are two subcategories: (1) the acids and sodium/amine
salts, and (2) the calcium salts. See Table 1 for how the category members are considered by
endpoint.
Table 1. Treatment of L
(For the purposes of this Y
AS Category Members by Endpoint
azard Characterization/Read-Across)
CASRN
Human
Health
Physico-
chemical and
Environmental
Fate
Hazard to
Environment
27323-41-7 (linear, amine salt)
Subcategory 1
Subcategory 1
Treated as One
Category
26264-05-1 (linear, amine salt)
26264-06-2 (linear, calcium salt)
Subcategory 2
68411-32-5 (branched, acid)
Subcategory 1
Subcategory 2
68608-88-8 (branched, acid)
90218-35-2 (branched, amine salt)
68953-96-8 (branched, calcium salt)
Subcategory 2
68608-89-9 (branched , sodium salt)
Subcategory 1
70528-83-5 (branched, calcium salt)
Subcategory 2
Justification for Supporting Chemicals
The sponsor identified seven supporting chemicals (CASRNs 27176-87-0; 42615-29-2; 68411-
31-4; 68584-24-7 68411-30-3; 68584-26-9; and 70528-84-6) for the nine sponsored chemicals in
this category (see revised Test Plan, 2008). However, three of these are not used for read-across
to any of the HPV endpoints for any of the sponsored chemicals and so they have been removed
from this hazard characterization (CASRNs 68411-31-4; 68484-24-7 and 70528-84-6). Table 2
shows which supporting chemical is used for each endpoint.
Table 2. Use of Supporting Chemicals in this Hazard Characterization
CASRN
Human
Health
Physico-
chemical and
Environmental
Fate
Hazard to
Environment
42615-29-2 (linear, acid)
V
V

27176-87-0 (linear, acid)

V

68411-30-3 (linear, sodium salt)
V
V
V
68584-26-9 (linear, magnesium salt)
V
V

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Other, Related Information
Links to related information for this category:
US HPV related category - Linear Alkylbenzene Sulfonic Acid Category ("US LABS")
(http://www.epa.gov/chemrtk/pubs/summaries/linalkbz/cl4485tc.htm )
OECD HPV LAS (Linear alkylbenzene sulfonates) - (SIAM 20;
http://www.chem.unep.ch/irptc/sids/OECDSIDS/LAS.pdf)
WHO IPCS Environmental Health Criteria Document for LAS:
http: //www, inchem. or g/documents/ehc/ehc/ehc 16 9. htm
U.S. EPA Office of Pesticide Programs - Reregi strati on Eligibility Document (RED) for
alkylbenzene sulfonates - http://www.epa.gov/oppsrrdl/REDs/alkylbenzene red.pdf
Human and Environmental Risk Assessment (European industry coalition; HERA):
http://www.heraproiect.com/files/48-F-HERA LAS Report (Version 4 - June 09).pdf
1. Chemical Identity
1.1	Identification and Purity
A listing of the category members and supporting substances, along with representative
structures are provided in the Appendix. The exact identification of category members is
difficult because it depends on the manufacturing process. The purity of the substances also
varies dramatically; the robust summaries provide some information on purity which can range
from < 10% to over 90%.
1.2	Physical-Chemical Properties
The physical-chemical properties of the linear and branched alkylbenzene sulfonic acids and
derivatives category are summarized in Table 3. Structures of representative compounds for
these mixtures are provided in the Appendix.
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Table 3. Physical-Chemical Properties of LAS Category (Subcategory I - Linear Members)1
Property
SPONSORED
CHEMICAL
Bcn/cncsulfonic acid,
dodccvl-, calcium salt
(2:1)
SPONSORED
CHEMICAL
Bcn/cncsulfonic acid,
dodccvl-, compound with
2-propanaminc (1:1)
SPONSORED
CHEMICAL
Bcn/cncsulfonic acid,
dodccvl-, compound with
2,2',2"-nitrilotris[cthanol]
(1:1)
SUPPORTING
CHEMICAL
Bcn/cncsulfonic acid,
alkyl dcrivs.
SUPPORTING
CHEMICAL
Bcn/cncsulfonic acid,
C10-16-alkyl dcrivs.,
magnesium salts
CASRN
26264-06-2
26264-05-1
27323-41-7
42615-29-2
68584-26-9
Molecular
Weight
691.05 (typical)
385.61 (typical)
475.30 (typical)
326.50 (typical)
675.27 (typical)
Physical State
Solid
Off-white solid6
White waxy solid6
Liquid
Solid
Melting Point
>25°C (solid)
>25°C (solid)
>25°C (solid)
-10°C (measured for
CASRN 27176-87-0)
>25°C (solid)
Boiling Point
>300°C (estimated)2
>300°C (estimated)2
>300°C (estimated)2
205°C (measured for
CASRN 27176-87-0)
>300°C (estimated)2
Vapor Pressure
<1.0xl010 mmHg at 25°C
(estimated)2
<1.0xlO"10 mmHg at
25°C (estimated)2
<1.0xl010 mmHg at 25°C
(estimated)2
5.0xl09mmHgat
25°C (estimated)2
<1.0xl010 mmHg at
25°C (estimated)2
Dissociation
Constant (pKa)
Not applicable
Not applicable
Not applicable
0.57 (estimated)3
Not applicable
Henry's Law
Constant
<1 xlO10 atm-m3/mole at
25°C (estimated)2
<1 x 101CI atm-m3/mole at
25°C (estimated)2
<1 x 1010 atm-m3/mole at
25°C (estimated)2
6.3 x 10"5 atm-m3/mole at
25°C (estimated)2
<1 x 101CI atm-m3/mole
at 25°C (estimated)2
Water Solubility
Dispersible
Dispersible
Dispersible
0.81 mg/L at 25°C
(estimated)2
Dispersible
Log Kow
Not applicable due to
dispersibility4
Not applicable due to
dispersibility4
Not applicable due to
dispersibility4
4.7 (estimated)2
Not applicable due to
dispersibility4
1	The Soap and Detergent Association (SDA) Linear Alkylbenzene Sulfonate (LAS) /Alkyl Benzene Sulfonate (ABS) Consortium Revised Test Plan and Robust Summary for
Linear and Branched Alkylbenzene Sulfonic Acids and Derivatives Category. April 2008. Available online from:
http://www.epa.gov/oppt/chemrtk/pubs/summaries/alkvbenz/cl4187tc.htm as of June 9, 2011.
2	U.S. EPA. 2011. Estimation Programs Interface Suite™ for Microsoft® Windows, v4.10. U.S. Environmental Protection Agency, Washington, DC, USA. Available online
from: http://www.epa.gov/opptintr/exposure/pubs/episuitedl.htm as of June 9, 2011.
3	SPARC On-Line Calculator. 2009. w4.5.1522-s4.5.1522. Available online from: http://archemcalc.com/sparc/ as of July 9.2011.
4	Tolls, J., Sijm, D. 2000. Estimating properties of surface active chemicals. In: Handbook of Property Estimation for Chemicals. Boethling R. S., Mackay, D. (eds.). Chapter 17.
Lewis Publishers, Boca Raton, FL. pp. 419^46.
5	Vanos, Haak, and Rupert: Physico-Chemical Properties of Selected Anionic, Cationic andNonionic Surfactants, New York: Elsevier, 1993.
6	Chemical Book. Available online from: http://www.chemicalbook.com as of June 10,2011.
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Table 3. Physical-Chemical Properties of LAS Category (Subcategory I - Linear Members)1
Property
SUPPORTING CHEMICAL
SUPPORTING CHEMICAL
Benzenesulfonic acid, dodecyl-
C10-13 alkyl derivs., sodium salt
CASRN
27176-87-0
68411-30-3
Molecular Weight
326.50 (typical)
348.48 (typical)
Physical State
Liquid
Solid
Melting Point
-10°C (measured)
>25°C (solid)
Boiling Point
205°C (measured)
>300°C (estimated)2
Vapor Pressure
5.0x 10"9 mm Hg at 25°C (estimated)3
<1.0xl0"10 mmHg at 25°C (estimated)3
Dissociation Constant
0.57 (estimated)8
Not applicable
(pKa)


Henry's Law Constant
6.3 x 10"5 atm-m3/mole at 25°C (estimated)3
<1 x 1010 atm-m3/mole at 25°C
(estimated)3
Water Solubility
0.81 mg/L at 25°C (estimated)3
Dispersible;
CMC = 433-764 mg/L at 25°C
(measured)5,6;
CMC = 100 mg/L (measured)6,7
Log Iv
4.7 (estimated)2
Not applicable due to dispersibility4
1	The Soap and Detergent Association (SDA) Linear Alkylbenzene Sulfonate (LAS) /Alkyl Benzene Sulfonate (ABS) Consortium
Revised Test Plan and Robust Summary for Linear and Branched Alkylbenzene Sulfonic Acids and Derivatives Category. April 2008.
Available online from: http://www.epa.gov/oppt/chemrtk/pubs/summaries/alkvbenz/cl4187tc.htm as of June 9,2011.
2	Chemical Book. Available online from: http://www.chemicalbook.com as of June 10, 2011.
3	U.S. EPA. 2011. Estimation Programs Interface Suite™ for Microsoft® Windows, v4.10. U.S. Environmental Protection Agency,
Washington, DC, USA. Available online from: http://www.epa.gov/opptintr/exposure/pubs/episuitedl.htm as of June 9,2011.
4	Tolls, J., Sijm, D. 2000. Estimating properties of surface active chemicals. In: Handbook of Property Estimation for Chemicals.
Boethling R. S., Mackay, D. (eds.). Chapter 17. Lewis Publishers, Boca Raton, FL. pp. 419^146.
5	Vanos, Haak, and Rupert: Physico-Chemical Properties of Selected Anionic, Cationic and Nonionic Surfactants, New York: Elsevier,
1993.
6	Data for sodium 4-(2-dodecyl)benzenesulfonate.
7	OECD SIDS Dossier for Linear Alkylbenzene Sulfonates (LAS) for the 20th SIAM Paris, France April 19-21 2005. Available online
from: http://www.chem.unep.ch/irptc/sids/oecdsids/las.pdf as of June 15, 2011.
8	SPARC On-Line Calculator. 2009. w4.5.1522-s4.5.1522. Available online from: http://archemcalc.com/sparc/ as of July 9. 2011.
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Table 3. Physical-Chemical Properties of LAS Category (Subcategory II - Branched Members)1
Property
SPONSORED
CHEMICAL
Bcn/cncsulfon it-
acid, dodccyl-,
branched
SPONSORED
CHEMICAL
Bcnzcncsulfonic acid,
mono-Cl 1-13-
branchcd alkyl dcrivs.
SPONSORED
CHEMICAL
Bcnzcncsulfonic acid,
mono-Cl 1-13-
branchcd alkyl dcrivs.,
sodium salts
SPONSORED
CHEMICAL
Bcnzcncsulfonic acid,
mono-Cl 1-13-
branchcd alkvl dcrivs.,
calcium salts
SPONSORED
CHEMICAL
Bcnzcncsulfonic
acid, dodccvl-,
branched, calcium
salts
SPONSORED
CHEMICAL
Bcnzcncsulfonic
acid, dodccvl-,
branched,
compounds with
2-pro[)anaminc
CASRN
68411-32-5
68608-88-8
68608-89-9
68953-96-8
70528-83-5
90218-35-2
Molecular
Weight
326.50 (typical)
326.50 (typical)
348.48 (typical)
691.05 (typical)
691.05 (typical)
385.61 (typical)
Physical State
Liquid
Liquid
Solid
Solid
Solid
Clear brown, gold or
amber viscous liquid
Melting Point
<25°C (liquid)
<25°C (liquid)
>25°C (solid)
>25°C (solid)
>25°C (solid)
<25°C (liquid)
Boiling Point
>300°C (estimated)2
>300°C (estimated)2
>300°C (estimated)2
>300°C (estimated)2
>300°C (estimated)2
>300°C (estimated)2
Vapor Pressure
5.0xl0"10mmHg at
25°C (estimated)2
5.0xlO-10mmHgat25°C
(estimated)2
<1.0xlO-10mmHgat25°C
(estimated)2
<1.0xlO-10mmHgat25°C
(estimated)2
<1.0xl0"10 mmHg at
25°C (estimated)2
<1.0xl0"10 mmHg at
25°C (estimated)2
Dissociation
Constant (pKa)
0.57 (estimated)3
0.57 (estimated)3
Not applicable
Not applicable
Not applicable
Not applicable
Henry's Law
Constant
6.3xlO"8 atm-m3/mole at
25°C (estimated)2
6.3xlO"8 atm-m3/mole at
25°C (estimated)2
6.3xl0"8 atm-m3/mole at
25°C (estimated)2
6.3xl0"8 atm-m3/mole at
25°C (estimated)2
6.3xl0"8 atm-m3/mole at
25°C (estimated)2
6.3xl0"8 atm-m3/mole
at25°C (estimated)2
Water
Solubility
1.1 mg/L at25°C
(estimated)2
1.1 mg/L at25°C
(estimated)2
Dispersible
CMC = 592 mg/L
(measured)5,6
Dispersible
Dispersible
Dispersible7
Log Kow
4.6 (estimated)2
4.6 (estimated)2
Not applicable due to
dispersibility4
Not applicable due to
dispersibility4
Not applicable due to
dispersibility4
Not applicable due to
dispersibility7
1 The Soap and Detergent Association (SDA) Linear Alkylbenzene Sulfonate (LAS) /Alkyl Benzene Sulfonate (ABS) Consortium Revised Test
Plan and Robust Summary for Linear and Branched Alkylbenzene Sulfonic Acids and Derivatives Category. April 2008. Available online from:
http://www.epa. gov/oppt/chemrtk/pubs/summaries/alkvbenz/c 14187tc.htm as of June 9, 2011.
2U.S.EPA. 2011. Estimation Programs Interface Suite™ for Microsoft® Windows, v4.10. U.S. Environmental Protection Agency, Washington,
DC, USA. Available online from: http://www.epa.gov/opptintr/exposure/pubs/episuitedl.htm as of June 9, 2011.
3	SPARC On-Line Calculator. 2009. w4.5.1522-s4.5.1522. Available online from: http://archemcalc.com/sparc/ as of July 9. 2011.
4	Tolls, J., Sijm, D. 2000. Estimating properties of surface active chemicals. In: Handbook of Property Estimation for Chemicals. BoethlingR.
S., Mackay, D. (eds.). Chapter 17. Lewis Publishers, Boca Raton, FL. pp. 419-446.
5	Data for branched sodium dodecylbenzene sulfonate sodium salt.
6	M. Ash and I. Ash. 2000. Industrial Surfactants - Electronic Handbook 2000. Endicott, NY: Synapse Information Resources, Inc.
7	Tolls, J., Sijm, D. 2000. Estimating properties of surface active chemicals. In: Handbook of Property Estimation for Chemicals. BoethlingR.
S., Mackay, D. (eds.). Chapter 17. Lewis Publishers, Boca Raton, FL. pp. 419-446.
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2. General Information on Exposure
2.1 Production Volume and Use Patterns
The LAS category chemicals had an aggregated production and/or import volume in the United
States between 6 million and 61 million pounds in calendar year 2005.
CASRN 68608-88-8 was not reported in the 2006 IUR.
CASRN 26264-06-2:
No industrial processing and uses, and commercial and consumer uses were reported for this
chemical.
CASRN 26264-05-1:
Non-confidential information in the IUR indicated that the industrial processing and uses for the
chemical include all other chemical product and preparation manufacturing as functional fluids.
Non-confidential commercial and consumer uses of this chemical include fabrics, textiles and
apparel; and wood and wood furniture.
CASRN 27323-41-7:
Non-confidential information in the IUR indicated that the industrial processing and uses for the
chemical include all other chemical product and preparation manufacturing as functional fluids.
Non-confidential commercial and consumer uses of this chemical include soaps and detergents
and "other."
CASRN 68411-32-5
Non-confidential information in the IUR indicated that the industrial processing and uses for the
chemical include other basic organic chemical manufacturing, pesticide and other agricultural
chemical manufacturing, support activities for mining, and soap and cleaning compound
manufacturing as surface active agents; other basic organic chemical manufacturing as
intermediates. Non-confidential commercial and consumer uses of this chemical include
adhesives and sealants.
CASRN 68608-89-9 and 68953-96-8
Industrial processing and uses, and commercial and consumer uses of these chemicals are
claimed confidential.
CASRN 26264-06-2
CASRN 26264-05-1
CASRN 27323-41-7
CASRN 68411-32-5
CASRN 68608-89-9
CASRN 68953-96-8
CASRN 70528-83-5
CASRN 90218-35-2
<	500,000 pounds
<	500,000 pounds
1 million to <10 million pounds
1 million to <10 million pounds
1 million to <10 million pounds
1 million to <10 million pounds
1 million to <10 million pounds
1 million to <10 million pounds
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CASRN 70528-83-5
Non-confidential information in the IUR indicated that the industrial processing and uses for the
chemical include other basic organic chemical manufacturing, pesticide and other agricultural
chemical manufacturing, and support activities for mining as surface active agents; and other
basic organic chemical manufacturing as intermediates. No commercial and consumer uses were
reported for this chemical.
CASRN 90218-35-2
Non-confidential information in the IUR indicated that the industrial processing and uses for the
chemical include other basic organic chemical manufacturing, support activities for mining
synthetic dye and pigment manufacturing as surface active agents; other basic organic chemical
manufacturing as intermediates. Commercial and consumer uses of this chemical are claimed
confidential.
2.2 Environmental Exposure and Fate
The environmental fate properties of the LAS category are summarized in Table 4. Structures of
representative compounds for these mixtures are provided in the Appendix.
The members of the LAS category are expected to posses low to moderate mobility in soil.
Biodegradation tests indicate that the substances in this category are not persistent. A
commercial substance consisting of 10% benzenesulfonic acid, dodecyl-, compound with 2,2',2"-
nitrilotris[ethanol] (1:1) (CASRN 27323-41-7) was degraded 71% within 28 days. A 96% pure
sample of benzenesulfonic acid, dodecyl-, branched (CASRN 68411-32-5), degraded 64 and
73%) as measured by CO2 evolution after 28 days at 10 mg/L and 20 mg/L, respectively, using
the modified Sturm (OECD 301B) test and was readily biodegradable. Supporting chemical,
C10-13 alkyl derivs., sodium salt (CASRN 68411-30-3) degraded 93%> after 28 days using a
DOC die-away (OECD 301 A) test. It was also degraded 83%> after 28 days using the modified
Sturm (OECD 301B) test and was classified as readily biodegradable. Benzenesulfonic acid,
dodecyl- (CASRN 27176-87-0) was reported to be readily biodegradable using a Manometric
respirometry test (OECD 301F). Linear and branched alkylbenzene sulfonic acids tend to
degrade more slowly under anaerobic conditions as compared to aerobic conditions. Linear
alkylbenzene sulfonic acids (C10-C14) were degraded 79%> in anoxic marine sediments after
165 days (Lara-Martin et al., 2007). Biodegradation rates were also assessed for a series of
linear alkylbenzene sulfonic acid homologs (C10-C14) in aerobic and anaerobic sludge, river
water, sediment, and soil. Mineralization half-lives were 1-2 days for these substances in
sewage sludges, river water, and sediment slurries. Half-lives were 1-3 weeks in surface and
subsurface soils (Larson et al., 1993). Volatilization is expected to be negligible given that the
test substances are ionic compounds or compounds that dissociate producing an anion in water.
Hydrolysis is expected to be negligible since the substances in this category do not contain
functional groups that hydrolyze. Bioconcentration studies on supporting chemicals
benzenesulfonic acid, alkyl derivatives (CASRN 42615-29-2) and benzenesulfonic acid,
dodecyl- (CASRN 27176-87-0) suggest that these substances do not bioaccumulate. Additional
studies conducted using pure homologues and isomers of linear alkylbenzene sulfonates not
included in this category suggest bioconcentration decreases with decreasing average alkyl chain
lengths (from almost 1000 for 2-phenyl-C13 linear alkylbenzene sulfonic acid to 2 for 6-phenyl-
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CIO linear alkylbenzene sulfonic acid), all with rapid clearance. The compounds in the linear
and branched alkylbenzene sulfonic acids and derivatives category are expected to possess low
persistence (PI) and low bioaccumulation potential (Bl).
Conclusion: The members of the linear and branched alkylbenzene sulfonic acids and
derivatives category (LAS) possess negligible vapor pressure and tend to be dispersible in water.
These substances are expected to possess low to moderate mobility in soil. Volatilization is
expected to be negligible given that the substances are ionic compounds or compounds that
dissociate producing an anion in water. Hydrolysis is expected to be negligible since the
substances in this category do not contain functional groups that hydrolyze. The compounds in
the LAS category tend to be readily biodegradable and biodegrade both aerobically and
anaerobically. Based on measured data, they are expected to possess both low persistence (PI)
and low bioaccumulation potential (Bl).
3. Human Health Hazard
A summary of health effects data submitted for SIDS endpoints is provided in Table 5. The table
also indicates where data for tested category members are read-across (RA) to untested members
of the category.
There were a number of studies in the submission that were also evaluated by the OECD. Many
of these studies were in Japanese and were not independently evaluated during the OECD
discussions and so were considered as having a "not-assignable" reliability score. However, they
were accepted by the OECD because they were evaluated by the IPCS prior to inclusion in their
(the IPCS) Environmental Health Criteria document. Occasionally in this hazard
characterization, where not enough detail was provided in the U.S. HPV Challenge submission,
the IPCS EHC document was reviewed.
Acute Oral Toxicity
Subcategory 1: Acids and Sodium/A mine Salts
Benzene sulfonic acid, dodecyl-, compd with 2-propanamine (CASRN 26264-05-1)
Sprague-Dawley rats (5 sex/dose) were administered benzene sulfonic acid, dodecyl-, compd.
with 2-propanamine (90.9% purity) via gavage at 1.0, 1.5, 2.0, 2.5 or 3.0 mL/kg-bw and
observed for up to 14 days following dosing. Mortality occurred in females at all dose levels,
with 100% mortality occurring at > 2.5 mL/kg-bw. In males, mortality occurred at 2.5 mL/kg-
bw and 100%) mortality was observed at the highest dose. The reported LD50 was 1.8 mg/kg-bw
which was stated to be equivalent to 1300 mg/kg-bw. This is clearly the LD50 for the combined
gender results; females were more sensitive.
LD50 = 1300 mg/kg
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Table 4. Environmental Fate Properties of the LAS Category (Subcategory I - Linear Members)1
Property
SPONSORED
CHEMICAL
Benzenesulfonic
acid, dodccyl-,
calcium salt (2:1)
SPONSORED
CHEMICAL
Bcnzcncsulfonic
acid, dodccyl-,
compound with
2-propanaminc
(1:1)
SPONSORED
CHEMICAL
Bcnzcncsulfonic
acid, dodccyl-,
compound with
2,2',2"-
n itrilotris[cth anol |
(1:1)
SUPPORTING
CHEMICAL
Benzenesulfonic
acid, alkyl
derivs.
SUPPORTING
CHEMICAL
Benzenesulfonic
acid, C10-16-
alkyl derivs.,
magnesium salts
SUPPORTING
CHEMICAL
Benzenesulfonic
acid, dodecyl-
SUPPORTING
CHEMICAL
C10-13 alkyl
derivs., sodium
salt
CASRN
26264-06-2
26264-05-1
27323-41-7
42615-29-2
68584-26-9
27176-87-0
68411-30-3
Photodegradation
Half-life
7.9 hours
(estimated)2,3
7.9 hours
(estimated)2
7.9 hours
(estimated)2
7.9 hours
(estimated)2,3
7.9 hours
(estimated)2,3
7.9 hours
(estimated)2,3
7.9 hours
(estimated)2,3
Hydrolysis Half-life
Stable

Biodegradation
No Data
71-95% after 28
days (readily
biodegradable)
(RA)
No Data
71-95% after 28
days (readily
biodegradable)
(RA)
71-95% after 28
days (readily
biodegradable)
No Data
71-95% after 28
days (readily
biodegradable)
(RA)
No Data
71-95% after 28
days (readily
biodegradable)
(RA)
>60% in 28
days (readily
biodegradable)4
76-94% in 28
days (readily
biodegradable)
Bioaccumulation
Factor
BAF = 783.2
(estimated)2,3
BAF = 783.2
(estimated)2
BAF = 783.2
(estimated)2
BCF = 104
(measured in
bluegills);
BAF = 783.2
(estimated)2,3
BAF = 783.2
(estimated)2
BCF = 130
(measured in
golden ide)5;
BAF = 783.2
(estimated)2,3
BCF = 104
(measured in
bluegills);
BAF = 783.2
(estimated)2,3
Log Koc
4.0 (estimated)2,3
4.0 (estimated)2
4.0 (estimated)2
4.0 (estimated)2,3
4.0 (estimated)2,3
4.0 (estimated)2,3
4.0 (estimated)2,3
Fugacity
(Level III Model)2,3
Air (%)
Water (%)
Soil (%)
Sediment (%)
0.6
18.7
74.4
6.2
0.6
18.7
74.4
6.2
0.6
18.7
74.4
6.2
0.6
18.7
74.4
6.2
0.6
18.7
74.4
6.2
0.6
18.7
74.4
6.2
0.6
18.7
74.4
6.2
Persistence6
PI (low)
PI (low)
PI (low)
PI (low)
PI (low)
PI (low)
PI (low)
Bioaccumulation6
B1 (low)
B1 (low)
B1 (low)
B1 (low)
B1 (low)
B1 (low)
B1 (low)
1 The Soap and Detergent Association (SDA) Linear Alkylbenzene Sulfonate (LAS) /Alkyl Benzene Sulfonate (ABS) Consortium Revised Test Plan and Robust Summary for Linear and Branched Alkylbenzene
Sulfonic Acids and derivatives Category. April 2008. Available online from: http://www.epa. gov/oppt/chemrtk/pubs/summaries/alkvbenz/c 14187tc.htm as of June 9, 2011.
2U.S. EPA. 2011. Estimation Programs Interface Suite™ for Microsoft® Windows, v4.10. U.S. Environmental Protection Agency, Washington, DC, USA. Available online from:
http://www.epa.gov/opptintr/exposure/pubs/episuitedl.htm as of June 9, 2011.
3	Salt compounds are out of the estimation domain for these endpoints.
4	SIDS Initial Assessment Profile for Dodecylbenzene Sulfonic Acid. SIAM 28 April 15-17,2009. Paris France. Available at: http://webnet.oecd.org/hpv/ui/SponsoredChemicals.aspx as of July 11. 2011.
5	The LAB Sulfonic Acids Coalition Revised Test Plan and Robust Summary for Linear Alkylbenzene Sulfonic Acids. April 2004. Available at:
http://www.epa.gov/chemrtk/pubs/summaries/linalkbz/cl4485tc.htm as of June 9, 2011.
6	Federal Register. 1999. Category for Persistent, Bioaccumulative, and Toxic New Chemical Substances. Federal Register 64, Number 213 (November 4, 1999) pp. 60194-60204.
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Table 4. Environmental Fate Pro
oerties of the LAS <
Category (Subcategory II - Branched)1
Property
SPONSORED
CHEMICAL
Bcn/cncsulfonic
acid, dodccvl-,
branched
SPONSORED
CHEMICAL
Bcn/cncsulfonic
acid, mono-Cl 1-
13-branchcd alkyl
dcrivs.
SPONSORED
CHEMICAL
Bcn/cncsulfonic
acid, mono-Cl 1-13-
branchcd alkyl
dcrivs., sodium salts
SPONSORED
CHEMICAL
Bcn/cncsulfonic
acid, mono-Cl 1-13-
branchcd alkyl
dcrivs., calcium
salts
SPONSORED
CHEMICAL
Bcn/cncsulfonic
acid, dodccvl-,
branched, calcium
salts
SPONSORED
CHEMICAL
Bcn/cncsulfonic acid,
dodccvl-, branched,
compounds with 2-
propanaminc
CASRN
68411-32-5
68608-88-8
68608-89-9
68953-96-8
70528-83-5
90218-35-2
Photodegradation
Half-life
7.9 hours
(estimated)2
7.9 hours
(estimated)2
7.9 hours
(estimated)2
7.9 hours
(estimated)2,3
7.9 hours
(estimated)2,3
7.9 hours
(estimated)2,3
Hydrolysis Half-life
Stable
Biodegradation
64-73% after 28
days (readily
biodegradable)
No data
64-73% after 28
days (readily
biodegradable)
(RA)
No data
64-73% after 28
days (readily
biodegradable)
(RA)
No data
64-73% after 28
days (readily
biodegradable)
(RA)
No data
64-73% after 28
days (readily
biodegradable)
(RA)
No data
64-73% after 28 days
(readily
biodegradable)
(RA)
Bioaccumulation
Factor
BAF = 408.0
(estimated)2
BAF = 408.0
(estimated)2
BAF = 408.0
(estimated)2,3
BAF = 408.0
(estimated)2,3
BAF = 408.0
(estimated)2,3
BAF = 408.0
(estimated)2,3
Log Koc
3.9 (estimated)2
3.9 (estimated)2
3.9 (estimated)2,3
3.9 (estimated)2,3
4.0 (estimated)2,3
3.9 (estimated)2,3
Fugacity
(Level III Model)2,3
Air (%)
Water (%)
Soil (%)
Sediment (%)
0.3
13.4
79.8
6.6
0.3
13.4
79.8
6.6
0.3
13.4
79.8
6.6
0.3
13.4
79.8
6.6
0.3
13.2
79.4
7.2
0.3
13.4
79.8
6.6
Persistence4
PI (low)
PI (low)
PI (low)
PI (low)
PI (low)
PI (low)
Bioaccumulation4
B1 (low)
B1 (low)
B1 (low)
B1 (low)
B1 (low)
B1 (low)
1	The Soap and Detergent Association (SDA) Linear Alkylbenzene Sulfonate (LAS) /Alkyl Benzene Sulfonate (ABS) Consortium Revised Test Plan and Robust Summary for
Linear and Branched Alkylbenzene Sulfonic Acids and Derivatives Category. April 2008. Available online from:
http://www.epa.gov/oppt/chemrtk/pubs/summaries/alkvbenz/cl4187tc.htm as of June 9,2011.
2	U.S. EPA. 2011. Estimation Programs Interface Suite™ for Microsoft® Windows, v4.10. U.S. Environmental Protection Agency, Washington, DC, USA. Available online from:
http://www.epa.gov/opptintr/exposure/pubs/episuitedl.htm as of June 9, 2011.
3	Salt compounds are out of the estimation domain for these endpoints.
4Federal Register. 1999. Category for Persistent, Bioaccumulative, and Toxic New Chemical Substances. Federal Register 64, Number 213 (November 4, 1999) pp. 60194-60204.
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Benzenesulfonic acid, dodecyl-, compd with 2,2',2"-nitrilotris[ethanolJ (1:1) (CASRN27323-
41-7)
Sprague-Dawley rats (5/sex/dose) were administered benzenesulfonic acid, dodecyl-, compd.
with 2,2',2"-nitrilotris[ethanol] (1:1) (unknown purity) via gavage at 91, 195, 420, 906 and 1953
mg/kg-bw and observed for 14 days following dosing. Mortality was not observed.
LDso > 1953 mg/kg
Benzenesulfonic acid, dodecyl-, branched (CASRN 68411-32-5)
Bor:WISW rats (5/sex/dose) were administered benzenesulfonic acid, dodecyl-, branched (86%
purity, "Marlon A386") via gavage at 1250, 1415, 1580 and 1990 mg/kg-bw and observed for up
to 15 days after dosing. Mortality was observed in females at all doses. Mortality was observed
in males at doses > 1415 mg/kg-bw. The reported LD50 is clearly for the combined gender
results; females were more sensitive. In addition, the value has been corrected for purity (i.e.,
the value is 1260 mg/kg-bw for the mixture used [86% purity]). (NOTE: This study is identified
as Reference 15 in the robust summary and the test plan documents. However, it seems that it is
the same study as Reference 60, although in the robust summaries they are presented for two
different CASRNs (this one and CASRN 68411-303, see pages 109 and 112, respectively, in the
revised robust summary submission dated 2008).
LD50 = 1080 mg/kg
Benzenesulfonic acid, mono-Cll — 13-branched alkyl derivs. (CASRN 68608-88-8)
Wistar rats (3/sex/dose) were administered benzenesulfonic acid, mono-Cl 1 - 13-branched alkyl
derivs. (87.1% purity) via gavage at unspecified dose levels and observed for 14 days after
dosing. Mortality and clinical signs were examined in the study, but were not provided in the
summary. According to the reference (Oser and Morgareidge, 1965), the LD50 is based on 100%
active ingredient, so the value obtained in the study was likely ~ 600 mg/kg-bw (520/.871 =
597). As noted in the robust summary, there were no details in the article on the individual doses
used or the number of animals which died at the doses where mortality was observed.
LD50 = 520 mg/kg
Benzenesulfonic acid, dodecyl-, branched, compd. with 2-propanamine (CASRN 90218-35-2)
Sprague-Dawley rats (5/sex/dose) were administered benzenesulfonic acid, dodecyl-, branched,
compd. with 2-propanamine (90.9% purity, "Siphonate 330") via gavage at 1.0, 1.5, 2.0, 2.5 or
3.0 mL/kg-bw and observed for 14 days after dosing. Combined mortalities (males and females)
were 10, 40, 40, 80 and 100% from low to high dose. The LD50 was reported to be 1.8 mg/kg-
bw. It is assumed that the density of the test material is around 1 (1 g/mL, or 1000 mg/mL) and
it is further assumed that the purity adjustment was not made. Therefore, the oral LD50 for use in
this hazard characterization is -1635 mg/kg-bw (1.8 mL/kg X 1000 mg/mL X 0.909).
LD50 = ~ 1635 mg/kg
Benzenesulfonic acid, alkyl derivs. (CASRN 42615-29-2, supporting chemical)
Wistar rats (3/sex/dose) were administered benzenesulfonic acid, alkyl derivs. (39.5% purity)
via gavage at unspecified dose levels and observed for 14 days after dosing. Mortality and
clinical signs were examined in the study, but were not provided in the summary. According to
the reference (Oser and Morgareidge, 1965), the LD50 is based on 100% active ingredient, so the
value obtained in the study was likely ~ 1645 mg/kg-bw (650/0.395 = -1645). As noted in the
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robust summary, there were no details in the article on the individual doses used or the number
of animals which died at the doses where mortality was observed.
LD50 = 650 mg/kg
Benzenesulfonic acid, C10-13-alkyl derivs., sodium salts (CASRN 68411-30-3, supporting
chemical)
1)	Rats (5/sex/dose, strain not identified) were administered benzenesulfonic acid, C10-13-alkyl
derivs., sodium salts (50% purity, "Marlon A 350")) via gavage at doses of 2510, 3160, 3570
and 3980 mg/kg-bw and were observed for 14 days after dosing. The robust summary
reported that "virtually all" animals died at the top two doses. The oral LD50 was reported to
be 1630 mg/kg-bw (corrected for purity). (Reference 61 in the submission)
LD50 = 1630 mg/kg
2)	Rats (5/sex/dose, strain not identified) were administered benzenesulfonic acid, C10-13-alkyl
derivs., sodium salts (30% purity, "Marlon A 350") via gavage at doses of 3980, 5010 and
6310 mg/kg-bw and were observed for 14 days after dosing. The robust summary reported
that "virtually all" animals died at the top two doses. The oral LD50 was reported to be 1630
mg/kg-bw (corrected for purity). (Reference 62 in the submission)
LD50 = 1410 mg/kg
Subcategory 2: Calcium Salts
There were no acute oral toxicity data on any sponsored/supporting chemicals.
Acute Inhalation Toxicity
Subcategory I: Acids and Sodium/A mine Salts
Benzenesulfonic acid, dodecyl-, sodium salt (CASRN 25155-30-0, supporting5)
Sprague-Dawley rats (males only, six/treatment group) were exposed to the test material (98%
purity) for four hours via inhalation (nose-only) at the following concentrations (all mean
measured values, converted from mg/m3 to mg/L): 0, 0.065, 0.120, 0.260 and 0.310 mg/L. After
four hours of exposure (nose-only), animals were returned to their cages and observed for 14
days. The only mortality was seen in the highest concentration group (3/6). It was noted that the
aerosol used in the study had a higher percentage of respirable particles than one would see in
LAS products. The LC50 presented below is only an approximation given the data indicated; the
robust summary did not provide a value.
LC50 = ~ 0.310 mg/L
Subcategory 2: Calcium Salts
There were no acute inhalation toxicity data on any sponsored/supporting chemicals.
5 Not a supporting chemical identified in the sponsor's 2008 revised test plan, but a robust summary was submitted
by the sponsor for this chemical fortius particular endpoint. CASRN 25155-30-3 is a supporting chemical in the
OECD LAS submission previously cited.
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Acute Dermal Toxicity
Subcategory 1: Acids and Sodium/A mine Salts
Benzenesulfonic acid, dodecyl-, compd with 2,2',2"-nitrilotris[ethanol] (1:1) (CASRN27323-
41-7)
New Zealand White rabbits (8/dose) were administered benzenesulfonic acid, dodecyl-, compd.
with 2,2',2"-nitrilotris[ethanol] (1:1; purity not stated) via the dermal route at 4199 mg/kg-bw (in
water vehicle) under occluded conditions to clipped skin for 24 hours and observed for 14 days
after dosing. No mortalities were observed.
LDso > 4199 mg/kg
Subcategory 2: Calcium Salts
There were no acute dermal toxicity data on any sponsored/supporting chemicals.
Repeated-Dose Toxicity
Subcategory 1: Acids and Sodium/A mine Salts
Benzenesulfonic acid, alkyl derivs. (CASRN 42615-29-2, supporting chemical)
Rhesus monkeys (3/sex/dose) were administered benzenesulfonic acid, alkyl derivs. (20.5%
purity) via two different routes of exposure on a daily basis for a period of 28 days (simultaneous
gavage and subcutaneous exposure). The gavage doses were: 0, 30, 150 or 300 mg/kg-bw/day
and the subcutaneous injection doses were: 0, 0.1, 0.5 or 1.0 mg/kg-bw/day. No mortality was
observed at any dose level. There were no effects on body weight, hematology, urinalysis, organ
weight or histopathology. Clinical signs of toxicity were observed at the top dose (vomiting) and
the top two doses (abnormal feces). Chronic inflammatory cell infiltration including
pseudocysts, hemorrhage and necrosis was observed at the injection site at all dose levels. The
vomiting effect was considered systemic since it occurred ~ three hours after gavage dosing - as
opposed to being a local reaction to the gavage/irritation at the point of entry (from the actual
study reference; Heywood et al., 1978). Because the purity of the test substance was 20.5%, the
doses may also be reported as active ingredient: -6, 31 and 62 mg a.i./kg-bw/day).
LOAEL = -300 mg/kg-bw/day (62 mg a.i./kg-bw/day) (based on clinical signs)
NOAEL = -150 mg/kg-bw/day (31 mg a.i./kg-bw/day)
Benzenesulfonic acid, CI0-13-alkyl derivs., sodium salts (CASRN 68411-30-3, supporting
chemical)
Sprague-Dawley rats (12/sex/dose) were administered benzenesulfonic acid, C10-13-alkyl
derivs., sodium salts (99.5% purity) via gavage at doses of 0, 125, 250 and 500 mg/kg-bw daily
for one month. There was no protocol details provided. Clinical signs included diarrhea (high
dose) with soft stools noted in the other two dose groups. There was a decrease in body weight
in males (all dose groups) and females (high dose group only; the significance and magnitude
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were not provided. There were no changes in measured hematology parameters (not listed), but
there were changes in clinical chemistry values - significant increase in alkaline phosphatase
activity (males, high dose group); significant decrease in calcium levels (males, all dose groups
and females, mid and high dose groups); significant increase in glutamate-oxalate transaminase
and blood-urea nitrogen (females, high dose group); and a significant decrease in protein and
albumin levels (females, all dose groups). Organ weights were also affected: significant
decreases (male, high dose group) and increases (females high, dose group) in the spleen and
heart; and increased (significance not noted) liver weights (females, high dose group). There
were no histological lesions in the liver (presumed to be the only organ evaluated). NOTE:
Details for this study were obtained from the IPCS EHC document available at:
http://www.inchem.org/documents/ehc/ehc/ehcl69.htm).
LOAEL = 500 mg/kg-bw/day) (based on clinical signs, decreased body weight, and possible
signs of liver/spleen toxicity based on the combination of clinical chemistry effects and changes
in spleen and liver organ weights)
NOAEL = -250 mg/kg-bw/day
Benzenesulfottic acid, C10-13-alkyl derivs., sodium salts (CASRN 68411-30-3, supporting
chemical)
ICR mice (eight or nine mice/group; males and females used but apportionment in groups not
noted) were administered benzenesulfonic acid, C10-13-alkyl derivs., sodium salts (purity not
specified in the robust summary, but stated to be 60% in the IPCS/EHC document) either via
drinking water (0, 100, 250 and 600 mg/kg-bw/d for males and 0, 100, 250 and 900 g/kg-bw/day
for females) or via the diet (0, 500 and 1000 mg/kg-bw/day). The exposure period was nine
months. The only reported effects in the dietary study were increases in liver weight in both
males and females and changes in clinical chemistries (significant decreases in lactate
dehydrogenase (LDH) and acid phosphatase in the kidneys of males). In mice receiving the test
material in the drinking water, effects were seen in the high dose group (decrease in body weight
gain [both males and females, significance not stated]; a significant decrease in hepatic glutamate
oxalate transaminase [males only], and a decrease (significance not stated) in renal glucose-6-
phosphatase [males and females]) and there was a dose-related increase in the liver weight in
females in all dose groups (absolute/relative not specified). NOTE: Details for this study were
obtained from the IPCS EHC document available at:
http ://www. inchem. org/ documents/ehc/ehc/ehc 169 .htm)
Dietary study:
NOAEL > 1000 mg/kg-bw/day) (highest tested dose)
Drinking water study:
NOAEL > 900 [females]/600 [males] mg/kg-bw/day) (highest tested dose)
Subcategory 2: Calcium Salts
There were no repeated-dose toxicity data on any sponsored/supporting chemicals.
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Reproductive Toxicity
Subcategoryl: Acids and Sodium/'Amine Salts
There were no reproductive toxicity data on any sponsored/supporting chemicals.
Subcategory 2: Calcium Salts
Benzenesulfonic acid, CIO — 16-alkyl derivs., magnesium salts (CASRN 68584-26-9,
supporting chemical)
(1)	CD rats (12 males and 24 females/dose) were administered benzenesulfonic acid, CIO - 16-
alkyl derivs., magnesium salts (38% slurry) in the diet at 0, 1250, 2500 or 3000 mg/kg (0, 50,
103 or 222 mg a.i6./kg-bw/day) continuously for two generations. It is unclear when dosing
started, but male and females were mated starting on day 91 to produce the FIa generation.
Fifty-five days later the females were re-mated with fresh males to produce the F1b generation.
Selected F1b animals were then mated to produce two F2 generations using the same protocol
identified above. One group (F2b) was followed for another 91 days prior to sacrifice. The
robust summary stated that there was continuous exposure during the entire study period. The
following parameters were evaluated for parents (P0, F1 and F2): mortality, body weights,
food/water intake, gestation duration/estrus cycle, macroscopic evaluation (general and
neoplasm-related) and, in F2 animals only, organ weights and histopathology (5/sex and only
when there were macroscopic findings). The following offspring parameters were evaluated:
clinical signs, mortality (with visceral examination of dead pups), body weights, neurotoxicity
parameters (startle response and pupil closure) and macroscopic evaluation in pups not selected
for mating to produce another generation. Decreased body weight was observed in males and
females at various times (and life stages) throughout the study at the high dose level. The body
weight effects in the pups (at all generations) were reported as changes in body weight gain at
the highest dose. The other general effect noted was a decrease in water consumption (P0 and F2
[mid and high dose]). Organ weight changes included decrease in heart and spleen (males) and
lungs and kidney (females) as well as increases in adrenals (females) and prostate (males) - all in
the high dose group only. No effects on reproductive performance or fertility were observed at
any dose.
LOAEL (systemic) = Not established (based on no clearly adverse treatment-related effects
observed)
NOAEL (systemic) > 222 mg a.i./kg-bw/day
LOAEL (reproductive toxicity) = 103 mg a.i./kg-bw/day (based on decreased body weight
gain in pups)
NOAEL (reproductive toxicity) = 50 mg a.i./kg-bw/day
(2)	Pregnant CD rats (32/dose) were administered benzenesulfonic acid, C10 - 16-alkyl
derivs., magnesium salts via the dermal route at 0, 1.75%, 3.5% or 7.0% solutions daily from
gestation day 7 to 17. The test material was applied in a 3% PEG solution to 32 cm2 of a clipped
dorsal skin area (it is unclear if this area was covered/uncovered). This study had two thirds of
the dams being sacrificed on day 20 and the remaining animals were allowed to deliver and the
offspring was observed for at least eight weeks. The former portion of the test is discussed in the
6 Active ingredient = a.i.
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developmental toxicity study section of this hazard characterization. The reproductive toxicity
portion of this study had the following protocol: one third (11) of the pregnant animals were
allowed to deliver their pups. These pups (Fl) were observed for eight weeks, and then selected
ones were allowed to mate (22/sex/group - within the same treatment group). These pregnant
females were then sacrificed on gestation day 20. It is unclear if the Fl animals were exposed to
the test material. The following parameters were evaluated in the Fl animals for the first eight
weeks following delivery: number, sex, weight, viability, abnormalities, physical/behavioral
development and macroscopic evaluation. The following reproductive toxicity parameters were
evaluated in the Fl generation: number of corpora lutea, number of implantation sites, and
number and location of fetuses and resorptions, and macroscopic evaluation. F2 fetal evaluation
included total number, sex, weight and external defects. Systemic toxicity in the F0 dams
included erythema at all doses (which was reversible when treatment stopped) and a decrease in
body weight (high dose group). The perinatal data for the Fl offspring evaluated on day 20 are
reported in the developmental toxicity section on this hazard characterization. There were no
effects seen in the Fl parental generation or the F2 fetal evaluation. (NOAELs/LOAELs cannot
be determined due to the inability to convert the solution information to an applied dose).
Developmental Toxicity
Subcategory 1: Linear Alkylbenzene Sulfonic Acids and Derivatives
Benzenesulfonic acid, alkyl derivs. (CASRN 42615-29-2, supporting chemical)
(1)	In a prenatal developmental toxicity study, pregnant Wistar rats (20-21/dose) were
administered benzenesulfonic acid, alkyl derivs. (20.5% purity) via the dermal route at 0, 1, 2,
10, 20, 100 or 400 mg/kg-bw/day from gestation day 0 to 20. The test material was diluted in tap
water and applied to clipped skin (it is unclear if this area was covered/uncovered). There were
several control groups: undipped, clipped but not treated and clipped with water (vehicle)
treatment only. The clipped skin of treated animals was washed with water 30 minutes after
application. Maternal animals were evaluated for body weight, food consumption, clinical signs,
and macroscopic examination on day 21. The uterus and ovaries were examined for the number
of corpora lutea, number of implantation sites, and number/location of fetuses and resorptions.
Developmental parameters evaluated in the fetuses included viability, sex, weight and external
defects (visceral, neural and skeletal). Maternal toxicity was observed as decreased body weight
at the highest dose level (5% decrease, significance not noted). Although it is not known
whether this is statistically significant, it may be biologically significant due to the extremely
short exposure period (i.e., 30 minutes/day). There were also local effects at the site of
application at the top three dose levels only (which increased in severity with dose - described as
discoloration at 20 mg/kg and either slight (100 mg/kg) or marked (400 mg/kg) slight thickening
of the skin, erythema and fissuring as well as discoloration). There was no evidence of
developmental toxicity observed among the offspring.
(NOAELs/LOAELs cannot be determined due to the short exposure time of 30 minutes).
(2)	In a prenatal developmental toxicity study, pregnant New Zealand White rabbits (13/dose)
were administered benzenesulfonic acid, alkyl derivs. (purity not specified) via gavage at 0, 0.2,
2, 300 or 600 mg/kg-bw/day from gestation day 6 to 18. Maternal animals were evaluated for
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body weight, clinical signs, and macroscopic examination on day 29. The uterus and ovaries
were examined for the number of corpora lutea, number of implantation sites, and
number/location of fetuses and resorptions. Developmental parameters evaluated in the fetuses
included viability, sex, weight and external defects (visceral and skeletal). Maternal toxicity
(mortality) occurred in the top two doses (11/13 and 13/13 for the 300 and 600 mg/kg-bw
groups, respectively). There was no evidence of developmental toxicity among the offspring in
the two lower dose groups. Due to the extreme maternal mortality observed at 300 mg/kg/day,
assessment of developmental parameters in the only two litters among the survivors in that dose
group was not possible.
LOAEL (maternal toxicity) = 300 mg/kg-bw/day (based on mortality)
NOAEL (maternal toxicity) = 2 mg/kg-bw/day
LOAEL (developmental toxicity) = 300 mg/kg-bw/day (based on litter loss)
NOAEL (developmental toxicity) = 2 mg/kg-bw/day
(3)	In a prenatal developmental toxicity study, pregnant CD-I mice (20/dose) were administered
benzenesulfonic acid, alkyl derivs. (purity not specified) via gavage at 0, 0.2, 2, 300 or 600
mg/kg-bw/day from gestation day 6 to 15. Maternal animals were evaluated for body weight,
clinical signs, and macroscopic examination on day 17. The uterus and ovaries were examined
for the number of corpora lutea, number of implantation sites, and number/location of fetuses
and resorptions. Developmental parameters evaluated in the fetuses included viability, sex,
weight and external defects (visceral and skeletal). Maternal toxicity (mortality) occurred in the
top two doses (7/20 and 18/20 for the 300 and 600 mg/kg-bw groups, respectively). Decreases in
body weight (significance and magnitude not provided) and gastrointestinal tract disturbances
were also noted in dams at the two highest dose levels. The number of pregnant females
appeared to be the same across all groups: 17/20, 18/20, 18/20, 20/20, and 19/20 for the control
and four treated groups. The number of live fetuses and number of litters were reduced in the
two high dose groups due to extreme maternal toxicity. At doses where extreme maternal
toxicity was not observed, there was no evidence of developmental toxicity observed among the
offspring.
LOAEL (maternal toxicity) = 300 mg/kg-bw/day (based on mortality)
NOAEL (maternal toxicity) = 2 mg/kg-bw/day
LOAEL (developmental toxicity) = 300 mg/kg-bw/day (based on litter loss)
NOAEL (developmental toxicity) = 2.0 mg/kg-bw/day
(4)	In a prenatal developmental toxicity study, pregnant CD rats (20/dose) were administered
benzenesulfonic acid, alkyl derivs. (purity not specified) via gavage at 0, 0.2, 2.0, 300 or 600
mg/kg-bw/day from gestation day 6 to 15. Maternal animals were evaluated for body weight,
clinical signs, and macroscopic examination on day 20. The uterus and ovaries were examined
for the number of corpora lutea, number of implantation sites, and number/location of fetuses
and resorptions. Developmental parameters evaluated in the fetuses included sex, weight and
external defects (visceral and skeletal). Maternal toxicity including mortality (1/20), decreased
body weight (magnitude and significance not reported) and gastrointestinal disturbances at the
highest dose only. Developmental toxicity was not observed among the offspring.
LOAEL (maternal toxicity) = 600 mg/kg-bw/day (based on mortality, reduced body weight
and gastrointestinal disturbances)
NOAEL (maternal toxicity) = 300 mg/kg-bw/day
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LOAEL (developmental toxicity) = Not established
NOAEL (developmental toxicity) > 600 mg/kg-bw/day
(5)	In a prenatal developmental toxicity study, pregnant New Zealand White rabbits (13/dose)
were administered benzenesulfonic acid, alkyl derivs. (purity not specified) via the dermal route
at 0, 0.9, 9 or 90 mg/kg-bw/day from gestation day 1 to 16 (no other details on protocol were
provided). Maternal animals were evaluated for body weight, clinical signs, and macroscopic
examination on day 29. The uterus and ovaries were examined for the number of corpora lutea,
number of implantation sites, and number of fetuses and resorptions. Developmental parameters
evaluated in the fetuses included viability, sex, weight and external defects (visceral and
skeletal). Maternal toxicity was observed at the top two doses and included decreased body
weight, erythema, edema, irritability and hypersensitivity. There was also an increase in
pre/post-implantation loss/resorptions in the high dose group. In the high dose group, the
number of live fetuses and number of litters were reduced. There was no evidence of
developmental toxicity observed among the offspring.
(NOAELs/LOAELs cannot be determined due to the lack of protocol details).
(6)	In a prenatal developmental toxicity stud, pregnant CD-I mice (20/dose) were administered
benzenesulfonic acid, alkyl derivs. (purity not specified) via the dermal route at 0, 5, 50 or 500
mg/kg-bw/day from gestation day 2 to 13 (no other details on protocol provided). Maternal
animals were evaluated for body weight, clinical signs, and macroscopic examination on day 17.
The uterus and ovaries were examined for the number of corpora lutea, number of implantation
sites, and number/location of fetuses and resorptions. Developmental parameters evaluated in
the fetuses included viability, sex, weight and external defects (visceral and skeletal). Erythema,
edema, irritability and hypersensitivity were observed in dams at > 50 mg/kg-bw/day (these
effects were reported to be reversible). Decreased body weight gain in dams was observed at the
highest dose level. At the highest dose, the number of pregnant females was reduced (6/20) as
compared to 17/20, 16/20 and 18/20 for the control, low and mid dose groups. Thus, the number
of litters (only one) and live fetuses were reduced in the high dose group. Extra cervical ribs
were reported in high dose offspring, although only one litter was evaluated and the number of
fetuses was not reported. No sighs of developmental toxicity was reported in the low and mid
dose groups. (NOAELs/LOAELs cannot be determined due to the lack of protocol details).
(7)	In a prenatal developmental toxicity study, pregnant CD rats (20/dose) were administered
benzenesulfonic acid, alkyl derivs. (purity not specified) via the dermal route at 0, 0.6, 6 or 60
mg/kg-bw/day from gestation day 2 to 15 (no other details on protocol provided). Maternal
animals were evaluated for body weight, clinical signs, and macroscopic examination on day 20.
The uterus and ovaries were examined for the number of corpora lutea, number of implantation
sites, and number/location of fetuses and resorptions. Developmental parameters evaluated in
the fetuses included sex, weight and external defects (visceral and skeletal). Erythema, edema,
irritability and hypersensitivity were observed in dams at the highest dose (these effects were
reported to be reversible). No other maternal toxicity was observed. There was no evidence of
developmental toxicity observed among the offspring. (NOAELs/LOAELs cannot be
determined due to the lack of protocol details).
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Subcategory 2: Calcium Salts
Benzenesulfottic acid, CIO — 16-alkyl derivs., magnesium salts (CASRN 68584-26-9,
supporting chemical)
(1)	In a prenatal developmental toxicity study, pregnant New Zealand White rabbits (14/dose)
were administered benzenesulfonic acid, CIO - 16-alkyl derivs., magnesium salts via the oral
route at 0, 60, 125 or 250 mg/kg-bw/day from gestation day 6 to 18. Maternal animals were
evaluated for body weight, food/water consumption, clinical signs, and macroscopic examination
on day 29. The uterus and ovaries were examined for the number of corpora lutea, number of
implantation sites, and number/location of fetuses and resorptions. Developmental parameters
evaluated in the fetuses included sex, weight and external defects (visceral and skeletal).
Placental weights were also recorded. Decreased body weight gain and decreased food/water
consumption were observed in dams at all dose levels (the data tables indicated "DR" - assumed
to mean the response was dose-related). Increased post implantation loss and decreased number
of live fetuses was observed at the top two dose levels; also in a dose-related manner. There was
no other evidence of developmental toxicity observed among offspring at any dose level.
LOAEL (maternal toxicity) = 60 mg/kg-bw/day (based on decreased body weight gain)
NOAEL (maternal toxicity) = Not established
LOAEL (developmental toxicity) = 125 mg/kg-bw/day (based on decreased number of live
fetuses)
NOAEL (developmental toxicity) = 60 mg/kg-bw/day
(2)	In a prenatal developmental toxicity study, pregnant New Zealand White rabbits (14/dose)
were administered benzene sulfonic acid, C10 - 16-alkyl derivs., magnesium salts via the dermal
route at 0, 0.75%, 1.5% or 3.0% solutions daily from gestation day 6 to 18. The test material
was applied in a volume of 5 mL in PEG to 100 cm2 area (location, whether clipped/unclipped,
or whether occluded or not were not reported). Maternal animals were evaluated for body
weight, food/water consumption, clinical signs, and macroscopic examination on day 29. The
uterus and ovaries were examined for the number of corpora lutea, number of implantation sites,
and number/location of fetuses and resorptions. Developmental parameters evaluated in the
fetuses included sex, weight and external and skeletal abnormalities only (not visceral). Placental
weights were also recorded. There was a single mortality in the does at each of the top two
doses; there was no discussion as to whether this was treatment-related. The only other maternal
toxicity noted was a local, systemic effect (erythema and hyperkeratinization) at the application
site (this was present in all animals - treatment groups and controls (no details were provided).
There was no evidence of developmental toxicity observed among the offspring at any dose
level. (NOAELs/LOAELs cannot be determined due to the inability to convert the solution
information to an applied dose).
(3)	In a prenatal developmental toxicity study Pregnant CD rats (32/dose) were administered
benzene sulfonic acid, C10 - 16-alkyl derivs., magnesium salts via the dermal route at 0, 1.75%,
3.5%) or 7.0%) solutions daily from gestation day 7 to 17. The test material was applied in a 3%
PEG solution to 32 cm2 of a clipped dorsal skin area (no other protocol details provided). This
study had two thirds of the dams being sacrificed on day 20 and the remaining animals were
allowed to deliver and the offspring was observed for at least eight weeks. This latter portion of
the test is discussed in the reproduction study section of this hazard characterization.
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Maternal animals were evaluated for body weight, food/water consumption, clinical signs, and
macroscopic examination on day 20. The uterus and ovaries were examined for the number of
corpora lutea, number of implantation sites, and number/location of fetuses and resorptions.
Developmental parameters evaluated in the fetuses included sex, weight and external defects
(visceral and skeletal). There were no mortalities among dams. Other maternal toxicity noted
were local erythema effects (all doses, reversible after treatment stopped), a decrease in body
weight (high dose only); slight keratinization of skin (top two doses), and a significant increases
in water consumption at the "highest dose groups" (assumed to mean the two highest). A
decrease in the number of implantation sites was reported at the two top doses. A decrease in the
number of implantation sites was reported in the highest dose group. There were decreases in
pre- (low dose) and post- (low and mid-dose) implantation losses; but they were considered not
treatment-related ".. .due to total litter loss from one female at 1.75% and 3 females at 3.5%".
Although this may be true, it is not possible to verify this because the number of litters per dose
group is not presented in the robust summary. An increase in hydroureter and hydronephrosis
was reported in offspring in the 3.5% dose group only, but not at the 7% dose group. Signs of
developmental toxicity consisted of a decrease in fetal body weight (high dose only); magnitude
or significance of these findings were not reported. (NOAELs/LOAELs cannot be determined
due to the inability to convert the solution information to an applied dose).
Genetic Toxicity — Gene Mutation
Subcategory 1: Acids and Sodium/A mine Salts
Benzenesulfonic acid, alkyl derivs. (CASRN 42615-29-2, supporting chemical)
Salmonella typhimurium strains TA98 and TA100 were exposed to benzenesulfonic acid, alkyl
derivs. at concentrations of 10, 25, 50, 100 and 200 |ig/plate in the presence and absence of
metabolic activation. The test material did not induce any mutagenic activity in either strain with
or without metabolic activation. A more appropriate protocol would be to evaluate five different
strains of bacteria (see next entry).
Benzenesulfonic acid, alkyl derivs. was not mutagenic in this assay.
Benzenesulfonic acid, CI0-13-alkyl derivs., sodium salts (CASRN 68411-30-3, supporting
chemical)
Salmonella typhimurium strains TA98, TA100, TA1535, TA1537 and TA1538 were exposed to
benzenesulfonic acid, C10-13-alkyl derivs. (91.3% purity, "Marlon A 390") at concentrations
ranging from 8-5000 |ig/plate in the presence and absence of metabolic activation (individual
concentrations not provided). There was no cytotoxicity at any concentration. The test material
did not induce any mutagenic activity in any strain with or without metabolic activation.
Benzenesulfonic acid, C10-13-alkyl derivs. was not mutagenic in this assay.
Subcategory 2: Calcium Salts
There were no genetic toxicity tests for this subcategory with any sponsored/supporting
chemicals.
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Genetic Toxicity - Chromosomal Studies
Subcategory 1: Acids and Sodium/A mine Salts
Benzenesulfonic acid, C10-13-alkyl derivs., sodium salts (CASRN 68411-30-3, supporting
chemical)
Mice (ddy, three males) were given a single dose of benzenesulfonic acid, C10-13-alkyl derivs.
via intraperitoneal injection at a dose of 100 mg/kg-bw to evaluate induction of micronuclei in
bone marrow cells. There were no increases in micronuclei in treated animals versus controls.
This study is presented here for completeness. It should be interpreted with caution since there
were few animals assessed and no protocol details were provided. It was referenced and
apparently used to represent genotoxicity in the IPCS EHC document
(http://www.inchem.org/documents/ehc/ehc/ehcl69.htm).
Subcategory 2: Calcium Salts
There were no genetic toxicity tests for this subcategory with any sponsored/supporting
chemicals.
Additional Information
Skin Irritation
Subcategory 1: Acids and Sodium/A mine Salts
Benzenesulfonic acid, dodecyl-, compd with 2-propanamine (CASRN 26264-05-1)
Benzenesulfonic acid, dodecyl-, compd. with 2-propanamine (0.5 mL; purity of 90.9%) was
applied to intact and abraded skin of six New Zealand White rabbits (sex not specified) under
semi-occluded conditions for 24 hours. Test animals were assessed for erythema and edema for
up to 72 hours.
Benzene sulfonic acid, dodecyl-, compd. with 2-propanamine was irritating to rabbit skin
in this assay.
Benzenesulfonic acid, dodecyl-, compd. with 2,2',2"-nitrilotris[ethanol] (1:1) (CASRN27323-
41-7)
Benzenesulfonic acid, dodecyl-, compd. with 2,2',2"-nitrilotris[ethanol] (1:1) (0.5 g; 60% purity)
was applied to intact skin of three New Zealand White rabbits (sex not specified) under occluded
conditions for 4 hours in a modified DOT corrosivity test. Test animals were assessed for
erythema and edema for up to 72 hours.
Benzenesulfonic acid, dodecyl-, compd. with 2,2',2"-nitrilotris[ethanol] (1:1) was irritating
to rabbit skin in this assay.
Benzenesulfonic acid, C10-13-alkyl derivs., sodium salts (CASRN 68411-30-3, supporting
chemical)
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Benzenesulfonic acid, C10-13-alkyl derivs., sodium salt (0.5 ml; 50% purity, "Marlon A 350")
was applied to intact skin of three male and three female rabbits (strain not specified) in an
OECD guideline irritation/corrosion test. Other information not provided except that the results
showed irritation.
Benzenesulfonic acid, C10-13-alkyl dervs., sodium salt was irritating to rabbit skin in this
assay.
Benzenesulfonic acid, dodecyl-, branched (CASRN 68411-32-5)
Benzenesulfonic acid, dodecyl-,branched (0.5 g; 93-95% purity) was applied to intact skin of
three New Zealand White rabbits (sex not specified) under occluded conditions for 4 hours in a
modified DOT corrosivity test. Test animals were assessed for erythema and edema for up to 72
hours.
Benzenesulfonic acid, dodecyl-, branched was irritating to rabbit skin in this assay.
Benzenesulfonic acid, mono-Cll — 13-branched alkyl derivs. (CASRN 68608-88-8)
Benzenesulfonic acid, mono-Cl 1 - 13-branched alkyl derivs. (0.5 g) was applied to intact skin of
three New Zealand White rabbits (sex not specified) under occluded conditions for 4 hours in a
DOT corrosivity study. Four different tests were run, each differing by the purity of the test
material. The four purity concentrations evaluated were: 30%, 60%, 90% and 96%. Test
animals were assessed for erythema and edema for up to 72 hours. Results showed irritation in
all tests.
Benzenesulfonic acid, mono-Cll - 13-branched alkyl derivs. was irritating to rabbit skin in
this assay.
Benzenesulfonic acid, dodecyl-, branched, compd with 2-propanamine (CASRN 90218-35-2)
Benzenesulfonic acid, dodecyl-, branched, compd. with 2-propanamine (0.5 g, "Siphonate 330")
was applied to shaved intact skin of six New Zealand Albino rabbits (sex not specified) under
occluded conditions for 24 hours in a primary skin irritation study.
Benzenesulfonic acid, dodecyl-, branched, compd. with 2-propanamine was irritating to
rabbit skin in this assay.
Subcategory 2: Calcium Salts
There were no skin irritation studies for this subcategory with any sponsored/supporting
chemicals.
Eye Irritation
Subcategory 1: Linear Alkylbenzene Sulfonic Acids and Derivatives
Benzenesulfonic acid, dodecyl-, compd. with 2-propanamine (CASRN 26264-05-1)
New Zealand White rabbits (sex not specified) received benzenesulfonic acid, dodecyl-, compd.
with 2-propanamine (0.1 mL, 90.9% purity) in the eyes. In three rabbits, the eyes were rinsed 30
seconds after instillation and in six rabbits, the eyes were not rinsed. Irritation was scored at 24,
48 and 72 hours after treatment and 4 and 7 days after administration. Irritation was observed in
both groups of rabbits (rinsed and not rinsed).
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Benzenesulfonic acid, dodecyl-, compd. with 2-propanamine was irritating to rabbit eyes in
this assay.
Benzenesulfonic acid, C10-13-alkyl derivs., sodium salts (CASRN 68411-30-3, supporting
chemical)
Benzenesulfonic acid, C10-13-alkyl derivs., sodium salt (0.1 ml; purity not provided, "Marlon A
350") was evaluated in rabbit eyes at five different concentrations (ranging from 0.01 to 0.1%;
individual concentrations not provided). Thirteen rabbits/group were tested (strain/gender not
specified). The rabbits were observed for 24 hours. Results showed no abnormalities in the
0.01% group, slight congestion in the 0.05% group, and marked reactions (severe congestion and
edema) in groups treated with 0.5% and higher
Benzenesulfonic acid, C10-13-alkyl dervs., sodium salt was irritating to rabbit eye in this
assay.
Benzenesulfonic acid, dodecyl-, branched, compd. with 2-propanamine (CASRN 90218-35-2)
New Zealand Albino rabbits (sex not specified) received benzenesulfonic acid, dodecyl-,
branched, compd. with 2-propanamine (0.1 mL, 90.9%, "Siphonate 330") in one eye. Eyes of
three rabbits were rinsed 30 seconds after instillation and the eyes of six rabbits were not rinsed.
Ocular lesions were evaluated at 24, 48 and 72 hours after instillation and 4, 7 and 14 days after
administration. Irritation was observed in both groups of rabbits (rinsed and not rinsed).
Benzenesulfonic acid, dodecyl-, branched, compd. with 2-propanamine was irritating to
rabbit eyes in this assay.
Subcategory 2: Calcium Salts
There were no eye irritation studies for this subcategory with any sponsored/supporting
chemicals.
Conclusion: For the human health endpoints, the LAS category has been split into two
subcategories: (1) acids and sodium/amine salts and (2) calcium salts. There are six sponsored
chemicals in the acid/sodium/amine salts subcategory (with two supporting chemicals) and three
sponsored chemicals in the calcium salts subcategory (with one supporting chemical).
Subcategory 1: LAS: Acids and Sodium/A mine Salt Derivatives
Acute oral toxicity data with rats exist for five of the six sponsored chemicals (CASRNs 68411-
32-5, 68608-88-8, 90218-35-2, 27323-41-7 and 26264-05-1) in this subcategory and for both
supporting chemicals (CASRNs 68411-30-3 and 42615-29-2); and all data suggest low toxicity.
The acute dermal toxicity of CASRN 27323-41-7 in rabbits is low. An acute inhalation study in
rats with an analog that was not a supporting chemical (CASRN 25155-30-0) was high.
There were no repeated-dose toxicity tests with any sponsored category member; however, there
were such studies with the two supporting chemicals. In a 28-day study with CASRN 42615-29-
2, monkeys were simultaneously exposed to the test chemical using two routes of exposure
(gavage and subcutaneous routes). Clinical signs (vomiting, diarrhea) were observed at -62
mg/kg-day, resulting in a NOAEL of ~31 mg/kg-day. The supporting chemical, CASRN 68411-
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30-3, was evaluated in rats (gavage, one month) and mice (dietary or via drinking water; both for
nine months). In the rat study, effects were observed (reductions in body weight, liver/spleen
weight changes, changes in clinical chemistry values indicative of liver damage) at 500 mg/kg-
day; the NOAEL was -250 mg/kg-day. In the mouse studies, very minor effects were observed
which were not considered adverse; the NOAEL was greater than 1000 mg/kg-bw/day (dietary
study, highest dose tested) and greater than 600 mg/kg-bw/day (drinking water study, highest
dose tested).
No reproductive toxicity studies were available for sponsored category members or supporting
chemicals. In the repeated-dose studies, it is not clear whether reproductive organs were
evaluated.
No developmental toxicity studies were available for sponsored category members. Oral and
dermal studies with CASRNs 42615-29-2 were conducted in three species (rabbits, mice and
rats). In the oral studies, maternal toxicity in all species was severe with mortality occurring at
300 mg/kg-day (rabbits and mice) and 600 mg/kg-day (rats). The NOAEL for maternal toxicity
for the oral developmental toxicity studies was 2 mg/kg-day (mice and rabbits) and 300 mg/kg-
day (rats). Developmental toxicity was seen in all oral studies except for the rat study with
CASRN 42615-29-2 (no effects seen at the highest tested dose of 600 mg/kg-day). In the other
studies, litter loss was observed (rabbit and mouse), both at 300 mg/kg-day; the NOAEL for
developmental toxicity was 2 mg/kg-day.
The dermal developmental toxicity studies had either unusual protocols (i.e., only 30 minutes of
exposure) or no protocol details provided. Thus, although data are presented in this document
and effects were observed, NOAELs/LOAELs were not determined. There was no maternal
mortality, but in all cases there were local irritation effects from exposure to the test chemical.
Systemic maternal toxicity was observed as reductions in body weight gain (rabbits and mice).
Developmental toxicity was observed as increases in pre- and post implantation losses and
decreases in number of live fetuses (rabbits and mice).
There were no genotoxicity studies with any sponsored category members. No mutagenicity was
observed in two separate bacterial mutagenicity assays conducted with two different supporting
chemicals (CASRNs 42615-29-2 and 68411-30-3). CASRN 26264-05-1 (sponsored chemical)
was irritating to both the skin and eye in rabbits; and sponsored chemical CASRN
27323-41-7 was irritating to rabbit skin.
The reproductive and genetic toxicity (chromosomal aberrations) endpoints were identified as
data gaps for Subcategory 1 category members.
Subcategory 2: LAS: Calcium Salts
There were no data on any health endpoint with any of the three sponsored category members
(CASRNs 68953-96-8, 70528-83-5, and 26264-06-2).
In a two generation rat reproduction study with the supporting chemical, CASRN
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68584-26-9, no parental systemic toxicity was observed; however, there was a decrease in pup
body weight gain at 103 mg/kg-day. The NOAEL for reproductive toxicity is 50 mg/kg-day.
In an oral prenatal developmental toxicity study in rabbits with the supporting chemical CASRN
68584-26-9, the NOAEL for maternal toxicity was not established because toxicity (decreased
body weight gain) was seen at all doses; the lowest dose tested was 60 mg/kg-d. Developmental
toxicity was observed as a decreased number of live fetuses at 125 mg/kg-day; the NOAEL for
developmental toxicity is 60 mg/kg-day.
The acute toxicity, repeated-dose and genetic toxicity (gene mutations and chromosomal
aberrations) endpoints were identified as data gaps for Subcategory 2 category members.
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Table 5. Summary of the Screening Information Data Set under the HPV Challenge Program - Human Health Data (cont.):
Subcategory 1: Alkylbenzene Sulfonic Acids and Sodium/Amine Salt Derivatives1
Endpoint
SPONSORED
chemical
IScn/.cncsulfonic
acid, dodccvl-,
branched
(68411-32-5)
SPONSOR].])
CHEMICAL
IScn/.cncsulfonic
acid, miiiKi-f l 1 -
13-branchcd alkyl
derivs.
(68608-88-8)
SPONSOR].])
CHEMICAL
ISciMcncsulfonic
acid, dodccvl-,
branched
coinpds, with 2-
propanaminc
(90215-35-2)
SPONSOR].])
C HEMIC AL
IScn/.cncsulfonic
acid, dodecvl-,
coinpds. with
2,2\2"-nitrilotris
| etlia nol | (1:1)
(27323-41-7)
SPONSORED
CHEMICAL
IScn/.cncsulfonic
acid, dodecvl-,
coinpd. with
2-propanamine
(26264-05-1)
SPONSOR]'".])
CHEMICAL
IScn/.cncsulfonic acid,
inono-CT 1 - 13-branched
alkyl derivs., sodium salts
(68608-89-9)
SUPPORTING
CHEMICAL
IScn/.cncsulfonic acid, C TO
- 13, alkyl derivs., sodium
salts
(68411-30-3)
SUPPORTING
C HEMIC AL
ISen/.enesulfonic acid,
alkyl derivs.
(42615-29-2)
Acute Oral
Toxicity
LD50 (mg/kg)
1080
520
-1635
>1953
1300
No Data
520
(RA)
1410 -1630
650
Acute Dermal
Toxicity
LDso (mg/kg)



>4199
"



Repeated-Dose
Toxicity
NOAEL/LOAEL
Oral (mg/kg-
bw/day)
No Data
NOAEL = 31
LOAEL = 62
(RA)
Rat; 28-d gavage
NOAEL= 250
LOAEL = 500
Mouse; 9-m dietary
NOAEL>1000
(highest dose tested)
Mouse; 9-m drinking
water
NOAEL>600
(highest dose tested)
NOAEL= 31
LOAEL = 62
Reproductive
Toxicity
NOAEL/LOAEL
Oral (mg/kg-
bw/day)
No Data


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Table 5. Summary of the Screening Information Data Set under the HPV Challenge Program - Human Health Data (cont.):
Subcategory 1: Alkylbenzene Sulfonic Acids and Sodium/Amine Salt Derivatives1
Endpoint
SPONSORED
chemical
IScn/.cncsulfonic
acid, dodccvl-,
b ranched
(68411-32-5)
SPONSOR].])
CHEMICAL
IScn/.cncsulfonic
acid, mono-Cl 1 -
13-branchcd alkvl
derivs.
(68608-88-8)
SPONSOR].])
CHEMICAL
ISciMcncsulfonic
acid, dodccvl-,
branched
coinpds, with 2-
propanaminc
(90215-35-2)
SPONSOR].])
( HEMIC AL
IScn/.cncsulfonic
acid, dodccvl-,
coinpds. with
2,2\2"-nitrilotris
|cthanol| (1:1)
(27323-41-7)
SPONSORED
C IIEMICAL
IScn/.cncsulfonic
acid, dodccvl-,
coinpd. with
2-propanaminc
(26264-05-1)
SPONSOR]'",])
CHEMICAL
IScn/.cncsulfonic acid,
mono-Cl 1 - 13-branchcd
alkyl derivs., sodium salts
(68608-89-9)
SUPPORTING
CHEMICAL
IScn/.cncsulfonic acid, ( TO
- 13, alkyl derivs., sodium
salts
(68411-30-3)
SUPPORTING
CHEMICAL
IScn/.cncsulfonic acid,
alkyl derivs.
(42615-29-2)
Developmental
Toxicity
NOAEL/LOAEL
Oral (mg/kg-
bw/day)
Maternal
Toxicity


No Data
NOAEL = 2
LOAEL = 300


-
(Mouse and Rabbit)
NOAEL = 2
LOAEL = 300
Developmental
Toxicity


NOAEL = 2
LOAEL = 300
(RA)



NOAEL = 2
LOAEL = 300
Maternal
Toxicity







(Rat)
NOAEL = 300
LOAEL = 600
Developmental
Toxicity







NOAEL > 600
LOAEL = NE
Genetic Toxicity
- Gene Mutation
In vitro
No Data
Negative
(RA)
Negative
Negative2
Genetic Toxicity
- Chromosomal
Aberrations
In vitro
No Data
-

Additional
Information
Skin Irritation
Eye Irritation
Irritating
Irritating
Irritating
Irritating
Irritating
Irritating
Irritating
-
Irritating
-
1	All values in table are adjusted for purity. Many LAS studies were conducted with test materials that ranged in purity from <20% to over 90%. For ease in comparison, where
the information was known, the values were adjusted to represent between 95-100%) active ingredient (a.i.). Bold values = experimental studies; RA = read across, NE = not
established
2	Only two bacterial strains used (instead of the guideline-suggested five).
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Table 5. Summary of the Screening Information Data Set under the HPV Challenge Program -
Human Health Data:
Subcategory 2: Calcium Salts1
Endpoint
SPONSORED
CHEMICAL
Bcnzcncsulfonic acid,
dodccyl-, calcium
salt
(26264-06-2)
SPONSORED
CHEMICAL
Bcnzcncsulfonic acid,
dodccvl-, branched,
calcium salts
(70528-83-5)
SPONSORED CHEMICAL
Bcnzcncsulfonic acid,
dodccyl-, branched alky 1
dcrivs., calcium salts
(68953-96-8)
SUPPORTING
CHEMICAL
Bcnzcncsulfonic acid, C10- 16,
alkvl dcrivs., magnesium salts
(68584-26-9)
Acute Oral Toxicity
LDso (mg/kg)
No Data
No Data
No Data
-
Repeated-Dose Toxicity
NOAEL/LOAEL
Oral (mg/kg-bw/day)
No data.
No data.
No data.

Reproductive Toxicity
NOAEL/LOAEL
Oral (mg/kg-bw/day)
Reproductive Toxicity
No Data
NOAEL = 50
LOAEL = 103
(RA)
No Data
NOAEL = 50
LOAEL = 103
(RA)
No Data
NOAEL = 50
LOAEL = 103
(RA)
NOAEL = 50
LOAEL =103
Developmental Toxicity
NOAEL/LOAEL
Oral (mg/kg-bw/day)
Maternal Toxicity
Developmental Toxicity
No Data
NOAEL = NE
LOAEL= 60
NOAEL = 60
LOAEL = 125
(RA)
No Data
NOAEL = NE
LOAEL = 60
NOAEL = 60
LOAEL = 125
(RA)
No Data
NOAEL = NE
LOAEL= 60
NOAEL = 60
LOAEL = 125
(RA)
(Rabbit)
NOAEL = NE
LOAEL = 60
NOAEL = 60
LOAEL =125
Genetic Toxicity -
Gene Mutation
In vitro
No Data
No Data
No Data

Genetic Toxicity -
Chromosomal
Aberrations
In vitro
No Data
No Data
No Data

1 All values in table are adjusted for purity. Many LAS studies were conducted with test materials that ranged in purity from
<20% to over 90%. For ease in comparison, where the information was known, the values were adjusted to represent between
90-100%) active ingredients (a.i.). Bold values = experimental studies; RA = read across, NE = not established.
4. Hazard to the Environment
A summary of aquatic toxicity data submitted for SIDS endpoints is provided in Table 6. The
table also indicates where data for tested supporting chemicals or category members are read-
across (RA) to untested members of the category.
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Acute Toxicity to Fish
lienzen esu If on ic acid, iloilecyl-, compd. with 2-propanamine (CASRN 26264-05-1)
Fathead minnows (Pimephalespromelas) were exposed to benzenesulfonic acid, dodecyl-,
compd. with 2-propanamine (89.4% purity) at nominal concentrations of 0, 3.2, 5.6, 10, 18, 32 or
56 mg/L under static conditions for 96 hours. Total mortality (100%) was observed at 32 and 56
mg/L.
96-h LCso = 20 mg/L
Acute Toxicity to Aquatic Invertebrates
Benzenesulfonic acid, dodecyl-, compd. with 2-propanamine (CASRN 26264-05-1)
Water fleas (Daphnia magna) were exposed to benzenesulfonic acid, dodecyl-, compd. with 2-
propanamine (89.4% purity) at nominal concentrations of 0, 1.56, 3.13, 6.25, 12.5, 25, 50 or 100
mg/L under static conditions for 48 hours. At 48 hours, 85% immobilization was observed at
3.13 mg/L, and total immobilization was observed at concentrations of 6.25 mg/L or greater.
48-h ECso = 2.2 mg/L
Toxicity to Aquatic Plants
Alkylbenzenesulfonic acid, sodium salt C10-13 (CASRN 68411-30-3, supporting chemical)
1)	Green algae (Scenedesmus subspicatus) were exposed to alkylbenzenesulfonic acid, sodium
salt C10-13 at nominal concentrations of 0, 0.6, 2.4, 10, 40, or 160 mg/L for 72 hours.
72-h ECso (biomass) = 43.2 mg/L
72-h ECso (growth rate) = 127.9 mg/L
2)	Green algae {Scenedesmus subspicatus) were exposed to alkylbenzenesulfonic acid, sodium
salt C10-13 at nominal concentrations of 0, 0.1, 0.4, 1.6, 6.4, 25, or 160 mg/L for 72 hours.
72-h ECso (biomass) = 20 mg/L
72-h ECso (growth rate) = 82 mg/L
Conclusion: For the linear and branched alkylbenzene sulfonic acids and derivatives category,
all sponsored chemicals were treated as one category. The 96-h LC50 for acute toxicity to fish is
20 mg/L and the 48-h EC50 for acute toxicity to aquatic invertebrates is 2.2 mg/L. The 72-h EC50
for toxicity to aquatic plants is 20 mg/L for biomass and 82 mg/L for growth rate.
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Table 6. Summary of the Screening Information Data Set under the
U.S. HPV Challenge Program - Aquatic Toxicity Data
Endpoint
Fish
96-h LCso (mg/L)
Aquatic Invertebrates
48-h ECso (mg/L)
Aquatic Plants
72-h ECso (mg/L)
SPONSORED CHEMICAL
Bcn/cncsulfonic acid, dodccvl-, calcium
salt
(26264-06-2)
No Data
20
(RA)
No Data
2.2
(RA)
No Data
20 (biomass)
82 (growth rate)
(RA)
SPONSORED CHEMICAL
Bcn/cncsulfonic acid, dodccvl-, compd.
with 2-propanaminc
(26264-05-1)
20
2.2
No Data
20 (biomass)
82 (growth rate)
(RA)
SPONSORED CHEMICAL
Bcn/cncsulfonic acid, dodccvl-, compds.
with 2,2',2"-nitrilotris [cthanol] (1:1)
(27323-41-7)
No Data
20
(RA)
No Data
2.2
(RA)
No Data
20 (biomass)
82 (growth rate)
(RA)
SPONSORED CHEMICAL
Bcn/cncsulfonic acid, dodccvl-, branched
(68411-32-5)
No Data
20
(RA)
No Data
2.2
(RA)
No Data
20 (biomass)
82 (growth rate)
(RA)
SPONSORED CHEMICAL
Bcn/cncsulfonic acid, mono-Cl 1 -
13-branchcd alkyl dcrivs.
(68608-88-8)
No Data
20
(RA)
No Data
2.2
(RA)
No Data
20 (biomass)
82 (growth rate)
(RA)
SPONSORED CHEMICAL
Bcn/cncsulfonic acid, mono-Cl 1 -
13-branchcd alkvl dcrivs., sodium salts
(68608-89-9)
No Data
20
(RA)
No Data
2.2
(RA)
No Data
20 (biomass)
82 (growth rate)
(RA)
SPONSORED CHEMICAL
Bcn/cncsulfonic acid, dodccvl-, branched
alkvl dcrivs., calcium salts
(68953-96-8)
No Data
20
(RA)
No Data
2.2
(RA)
No Data
20 (biomass)
82 (growth rate)
(RA)
SPONSORED CHEMICAL
Bcn/cncsulfonic acid, dodccvl-, branched,
calcium salts
(70528-83-5)
No Data
20
(RA)
No Data
2.2
(RA)
No Data
20 (biomass)
82 (growth rate)
(RA)
SPONSORED CHEMICAL
Bcn/cncsulfonic acid, dodccvl-, branched
compds. with 2-propanaminc
(90218-35-2)
No Data
20
(RA)
No Data
2.2
(RA)
No Data
20 (biomass)
82 (growth rate)
(RA)
SUPPORTING CHEMICAL
Alkylbenzenesulfonic acid, sodium salt
C10-13
(68411-30-3)
-
-
20 (biomass)
82 (growth rate)
(Bold) = measured data (i.e., derived from testing); (RA) = Read Across; - indicates that endpoint was not evaluated for this
substance
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5. References
Heywood R, James R, Sortwell R (1978) Toxicology studies of linear alkylbenzene sulphonate
(LAS) in rhesus monkeys. I. Simultaneous oral and subcutaneous administration for 28 days.
Toxicology, 11: 245-250.
Lara-Martin PA, Gomez-Parra A, Sanz JL, Gonzalez-Mazo E (2007) Anaerobic Degradation
Pathway of Linear Alkylbenzene Sulfonates (LAS) in Sulfate-Reducing Marine Sediments.
Environ Sci Technol. 44: 1670-1676.
Larson RJ, Rothgeb TM, Shimp RJ, Ward TE, Ventullo RM (1993) Kinetics and practical
significance of biodegradation of linear alkylbenzene sulfonate in the environment. JAOCS, 70
(7): 645-657.
Oser B and Morgaraeidge K (1965) Toxicologic studies with branched and linear alkyl benzene
sulfonates in rats. Tox Appl Pharm, 7: 819-825.
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APPENDIX
The substances in this category are mixtures with alkyl chain lengths predominantly in the range
of CIO to C14, but they can be prepared as pure homologues. The 1-phenyl isomer is not
formed. The majority of alkylbenzene sulfonic acids have the phenyl ring attached to the 2-, 3-,
or 4-position of the alkyl chain. Single representative structures are indicated below.
Chemical Name
CASRN
Structure
Subcategory 1: Linear Alkylbenzene Sulfonic Acids and Derivatives
SPONSORED CHEMICALS
Benzenesulfonic
acid, dodecyl-,
calcium salt (2:1)]
26264-06-
2
CH
ru H3C /	
 ca2+o
qO- -0 0
0^0 O'O
Benzenesulfonic
acid, dodecyl-,
compound with 2-
propanamine (1:1)
26264-05-
1
ch3
0 /—V /—/
11 // \ /
o=s—(f y—(
0- x=/ ch3
+ y
H-N-H
A
h3c ch3
Benzenesulfonic
acid, dodecyl-,
compound with
2 2' 2"-
5 5
nitrilotris[ethanol]
(1:1)
27323-41-
7
^ / ch3
O /	V /	/
°=SH^\	(
0- x=/ ch3
+ V
/—N—\
C1 oh
OH ]
OH
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Chemical Name
CASRN
Structure
SUPPORTING CHEMICALS
Benzenesulfonic
acid, alkyl derivs.
42615-29-
2
^ch3
o /	v, /	'
OH CH3
Benzenesulfonic
acid, C10-16-alkyl
derivs., magnesium
salts
68584-26-
9
CH3
H3C y
Mg2+
Q O- -0 q'
0% mO
u 0
Benzenesulfonic
acid, dodecyl-
27176-87-
0
^ / ch3
O /	V /	'
^
OH CH3
Benzenesulfonic
acid, CI0-13 alkyl
derivs., sodium salt
68411-30-
3
^^ch3
0 /—V /—/
o=s-/^)—(
o- ch3
Na+
Subcategory 2: Branched Alkylbenzene Sulfonic Acids and Derivatives
SPONSORED CHEMICALS
Benzenesulfonic
acid, dodecyl-,
branched
68411-32-
5
H3C
h3c )—v
H C V°H
HsC 
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Chemical Name
CASRN
Structure
Benzenesulfonic
acid, mono-Cll-13-
branched alkyl
derivs.
68608-88-
8
H3C
h3c )—V
>^0
H C V°H
HsC 
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Chemical Name
CASRN
Structure
Benzenesulfonic
acid, dodecyl-,
branched,
compounds with
2-propanamine
90218-35-
2
H3C
h3c —V
H3C 0'-%° + H CH3
H—N—\
H CH3
41
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