Final Risk Evaluation for Cyclic Aliphatic Bromide Cluster (HBCD) Systematic Review Supplemental File: Data Quality Evaluation of Physical-Chemical Properties Studies


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Table of (on tents
Table 1. Physical Form Study Summary for HBCD	3
Table 2. Melting Point Study Summary for HBCD	4
Table 3. Boiling Point Study Summary for HBCD	5
Table 4. Density Study Summary for HBCD	6
Table 5. Vapor Pressure Study Summary for HBCD	7
Table 6. Water Solubility Study Summary for HBCD	8
Table 7. Octanol-water Partition Coefficient Study Summary for HBCD	9
Table 8. Henry's Law Constant Study Summary for HBCD	10
Table 9. Autoflammability Temperature Study Summary for HBCD	11
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Table 1. Physical Form Study Summary for HBCD
Study Reference:
EINECS (2008). Risk assessment: HBCD. CAS No.: 25637-99-4.
Luxembourg European Inventory of Existing Chemical Substances,
Office for Official Publicants of the European Communities.
https://echa.europa.eu/documents/10162/661bffl7-dc0a-4475-9758-
40bdd6198f82.
HERO ID: 1443914
Note:
EINECS (2008) reported the physical form of HBCD.
Domain/Metric
Description/
Definition
Qualitative
Determination [Le.,
High, Medium,
Low, Unacceptable,
or Not rated]
Comment
Represcnlalneness
1 lie information or
data rellects llie data
and chemical
substance l> pe
iiigh
The information was
measured lor llie substance
of interest.
Appropriateness
The information or
data reflects
anticipated results
based on chemical
structural features or
behaviors.
High
The information is
consistent with the nature of
the substance.
:ilu;ilion/Rc\ iew
The information or
data reported luis
reliable re\ iew
Midi
l lie information is from a
secondary source that was
w nlleii h> experts and is
wideK available lor public
re\ iew
Reliability/Unbiased
(Method Objectivity)
The method for
producing the
data/information is not
biased towards a
particular product or
outcome.
Not rated
Data source does not
provide information to
determine the method
objectivity (unbiased
method). Thus, the
domain/metric was not
rated.
Reliability/ Analytic
Method
I he information or
dala reported is IV0111 a
reliable melliod
Not raled
This metric is not applicable
to this l\ pe of information
Overall Quality Level
High
3 of 11
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Table 2. Melting Point Study Summary for HBCD
Study Reference:
EINECS (2008). Risk assessment: HBCD. Cas No.: 25637-99-4.
Luxembourg European Inventory of Existing Chemical Substances,
Office for Official Publicants of the European Communities.
https://echa.europa.eu/documents/10162/661bffl7-dc0a-4475-9758-
40bdd6198f82.
HERO ID: 1443914
Note:
EINECS (2008) cited Smith et al. 2005 (HERO ID 787904) who reported the
melting point of HBCD.
Domain/Metric
Description/
Definition
Qualitative
Determination [Le.,
High, Medium, Low,
Unacceptable, or Not
rated]
Comment
Rcprcscnlnlixcncss
The inl'oimalion or
(.UiUi ivlleels llie Juki
and chemical
substance l\ pe.
Midi
Hie dala was measured lor
llie substance of interest
I'lie resulls reported in the
secondai'N source
(LI\L( S) are ranges llial
e\lend be\ond what was
measured in Smilli el al
(2ii(i5)
Appropriateness
The information or
data reflects
anticipated results
based on chemical
structural features or
behaviors.
High
The value is consistent
with the nature of the
substance.
l^alualion/ke\ icw
The information or
dala reported has
reliable re\ lew
High
llie \ ill lie is reported in a
secondai'\ source which
was prepared b\ experts
and ciled lo a peer-
rev lewed journal article as
llie original source
Reliability/Unbiased
(Method Objectivity)
The method for
producing the
data/information is not
biased towards a
particular product or
outcome.
High
Methodology for producing
the information is designed
to answer a specific
question, and the
methodology's objective is
clear.
Reliability/ Analytic
Mel hod
The information or
dala reported is from a
reliable method
High
Dala are obtained h>
accepled standard anaKlic
melhods
Overall Quality Level
High
4 of 11
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Table 3. Boiling Point Study Summary fc I)
Study Reference:
Peled, M; Scharia, R; Sondack, D. (1995). Thermal rearrangement of
hexabromo-cyclododecane (HBCD). In: Advances in organobromine
chemistry II. Elsevier. New York, NY.
HERO ID: 3421461
Note:
Peled et al. (2005) reported the boiling point of HBCD.
Domain/Metric
Description/
Definition
Qualitative
Determination [Le.,
High, Medium, Low,
Unacceptable, or Not
rated]
Comment
Represent ill iMMiess
1 lie information or
d;il;i iv 11 eels llie dala
and chemical
substance l\ pe
iiigh
The dala was measured lor
the substance ol' interest
Appropriateness
The information or
data reflects
anticipated results
based on chemical
structural features or
behaviors.
High
The value was consistent
with the nature of the
substance.
aliialion/ke\ iew
The information or
dala reported has
reliable re\ iew
High
The \alue is reported in a
secondai'\ source which
was prepared b\ experts
and cited to a peer-
rev lewed journal article as
the original source
Reliability/Unbiased
(Method Objectivity)
The method for
producing the
data/information is not
biased towards a
particular product or
outcome.
High
Methodology for
producing the information
is designed to answer a
specific question, and the
methodology's objective is
clear.
Reliability/ Analytic
Method
The information or
dala reported is from a
reliable method
High
Dala are obtained b\
accepted standard anaKlic
methods
Overall Quality Level
High
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Table 4. Density Study Summary for HBCD
Study Reference:
EINECS (2008). Risk assessment: HBCD. Cas No.: 25637-99-4.
Luxembourg European Inventory of Existing Chemical Substances,
Office for Official Publicants of the European Communities.
https://echa.europa.eu/documents/10162/661bffl7-dc0a-4475-9758-
40bdd6198f82.
HERO ID: 1443914
Note:
EINECS (2008) who reported the density of HBCD.
Domain/Metric
Description/
Definition
Qualitative
Determination [Le.,
High, Medium, Low,
Unacceptable, or Not
rated]
Comment
Rcprcscnliilixcncss
1 lie infoi'malion or
dala rellecls I lie dala
aiid chemical
SllllSlillKV l\ |V
1 hull
Hie dala was measured lor
llie substance of inleresl.
Appropriateness
The information or
data reflects
anticipated results
based on chemical
structural features or
behaviors.
High
The value was consistent
with the nature of the
substance.
:ilii:ilion/Rc\ icw
The in formal ion or
dala reported has
reliable re\ lew
Medium
Hie \alue is reported in a
secondary source which
was prepared and re\ lewed
b> experts, however, il is
ciled lo a chemical
corporalion Willi unknown
relialnhlN and re\ lew
Reliability/Unbiased
(Method Objectivity)
The method for
producing the
data/information is not
biased towards a
particular product or
outcome.
Low
The secondary source
describes the method as
non-GLP.
Reliability/ Analytic
Method
The infoi'malion or
da la iv polled is from a
reliable melliod.
1 ,o\\
Dala source does nol
pro\ ide infoi'malion
ie.ijai'din_ij llie anal\ lical
melliod.
Overall Quality Level
Medium
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Table 5. Vapor Pressure Study Summary for HBCD
Study Reference:
Stenzel and Nixon (1997). Determination of the vapor pressure using a
spinning rotor gauge. 1997; 439C-117, pp 44. Wildlife international Ltd.,
Easton, Maryland.
HERO ID: 3588056
Note:
Stenzel and Nixon (1997) reported the vapor pressure of HBCD.
Domain/Metric
Description/
Definition
Qualitative
Determination [Le.,
High, Medium,
Low, Unacceptable,
or Not rated]
Comment
Represenlalneness
1 lie inl'oinialion or
(.Inl;i iv 11 eels llie dala
and chemical
substance l\ |V
High
Hie dala was measured lor
llie substance ol'mleresl
Appropriateness
The information or
data reflects
anticipated results
based on chemical
structural features or
behaviors.
High
The value is consistent with
the nature of the substance.
;ilii:ilion/Rc\ iew
The information or
dala reported has
reliable re\ iew
Medium
I'rom a source llial is nol
dcscnlvd as 1 ligli hut is
known
Reliability/Unbiased
(Method
Objectivity)
The method for
producing the
data/information is
not biased towards a
particular product or
outcome.
High
The method reported is
designed to answer a specific
question.
Reliability/ Analytic
Method
The inl'oinialion or
dala reported is from
a reliable melliod
Medium
The melliod used is nol
recommended lor this
chemical according in ()L( 1)
guideline l<>4. however, llie
aulhors considered Ihis \alue
acce|HaMe since similar
\allies were reported li\
another source using a
dilVerenl melliod
Overall Quality Level
High
7 of 11
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Table 6. Water Solubility Study Summary fo 'D
Study Reference:
EINECS (2008). Risk assessment: HBCD. Cas No.: 25637-99-4.
Luxembourg European Inventory of Existing Chemical Substances, Office
for Official Publicants of the European Communities.
https://echa.europa.eu/documents/10162/661bffl7-dc0a-4475-9758-
40bdd6198f82.
HERO ID: 1443914
Note:
EINECS (2008) cites MacGregor and Nixon (1997) who reported the water
solubility of HBCD.
Domain/Metric
Description/
Definition
Qualitative
Determination [/. pe
iiigh
The dala was measured for the
substance of interest
Appropriateness
The information or
data reflects
anticipated results
based on chemical
structural features or
behaviors.
High
The value is consistent with
the nature of the substance.
:ilu;ilion/Rc\ iew
The information or
dala reported lias
reliable review
Medium
The \alue is reported in a
secondary source which was
prepared and re\ lewed b\
experts, however, the original
source is a report with
unknown review or reliability
Reliability/Unbiased
(Method
Objectivity)
The method for
producing the
data/information is
not biased towards a
particular product or
outcome.
High
The methodology as described
by the secondary source is
designed to answer a specific
question.
Reliability/ Analytic
Method
The information or
dala reported is from
a reliable method
High
The analytical method used,
as described b\ the secondary
source, is an accepted
standard method
Overall Quality Level
High
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Table 7. Octanol-water Partition Coefficient Study Summary for HBCD
Study Reference:
MacGregor and Nixon (1997). Hexabromocyclododecane (HBCD):
Determination of n-octanol/water partition coefficient with cover letter
dated 06/27/1997.
HERO ID: 787767
Note:
MacGregor and Nixon (1997) reported the octanol-water partition coefficient
of HBCD.
Domain/Metric
Description/
Definition
Qualitative
Determination [Le.,
High, Medium, Low,
Unacceptable, or Not
rated]
Comment
kepresenlalneness
The information or
dala ivlleels the dula
and chemical
substance l\ pe
iiigh
The dala was measured lor
the substance of interest
Appropriateness
The information or
data reflects
anticipated results
based on chemical
structural features or
behaviors.
High
The value is consistent
with the nature of the
substance.
:ilii;ition/Rc\ iew
The information or
dala reported luis
reliable re\ iew
Medium
I'rom a source that is not
described as 1 ligh but is
know n
Reliability/Unbiased
(Method Objectivity)
The method for
producing the
data/information is not
biased towards a
particular product or
outcome.
High
The methodology as
described by the
secondary source is
designed to answer a
specific question.
Reliability/ Analytic
Method
I he information or
dala reported is IV0111 a
reliable method
High
The anal> Heal method
used, as described b\ the
secondary source, is an
accepted standard method
Overall Quality Level
High
9 of 11
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Table 8. Henry's Law Constant Study Summary for HBCD
Study Reference:
U.S. EPA. (2012b). Estimation Programs Interface Suite for Microsoft
Windows, v. 4.11. httns://vv w vv.ena.gov/tsca-screening-tools/dovv nload-eni-
suitetm-estimation-r>rogram-interface-v4l 1.
HERO ID: 2347246
Note:
The Henry's Law constant was calculated by EPI Suite™ using measured water
solubility and vapor pressure data.
Domain/Metric
Description/
Definition
Qualitative
Determinatio
n [Le., High,
Medium,
Low,
Unacceptable,
or Not rated]
Comment
kcprcsenlalncness
The information or
dala ivlleels the dala
and chemical
substance l\ pe
iiigh
The 1 leniy "s l.aw constant has been
calculated using measured water
solubi 1 Us and \ apor pressure dala lor
the compound of interest
Appropriateness
The information or
data reflects
anticipated results
based on chemical
structural features or
behaviors.
High
The water solubility and vapor
pressure values used to determine the
Henry's Law constant were from
reliable sources and the derivation
method has been shown to accurately
match measured values.
;ilii;ilion/Rc\ iew
The information or
dala reported lias
reliable rev lew
High
The water solubilitN and vapor
pressure \ allies used to derive the
1 leniVs l.aw constant are from
reliable sources that are peer-re\ lewed
and available to the public The
derivation method has also been peer-
rev lewed
Reliability/
Unbiased (Method
Objectivity)
The method for
producing the
data/information is
not biased towards a
particular product or
outcome.
High
The method for producing this value
is not biased towards a particular
outcome.
Reliability/
Analytic Method
The information or
dala reported is from
a reliable method
1 ,o\\
1 lie anal\lical methods used to
determine the water solubilih and
\apor pressure values used in the
1 leniVs l.aw constant derivation are
not reported
Overall Quality Level
High
10 of 11
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Table 9. Autoflammability Temperature Study Summary for HBCD
Study Reference:
EINECS (2008). Risk assessment: HBCD. Cas No.: 25637-99-4.
Luxembourg European Inventory of Existing Chemical Substances,
Office for Official Publicants of the European Communities.
https://echa.europa.eu/documents/10162/661bffl7-dc0a-4475-9758-
40bdd6198f82.
HERO ID: 1443914
Note:
EINECS (2008) stated that decomposition of HBCD occurs before an
autoflammability temperature is reached. Therefore, the confidence in the
decomposition temperature of the boiling point study by Peled et al. (2005;
HERO ID 3421461) is also evaluated here.
Domain/Metric
Description/
Definition
Qualitative
Determination [Le.,
High, Medium, Low,
Unacceptable, or Not
rated]
Comment
Represent ill iMMiess
1 lie information or
data rclleels llie data
and chemical
substance l> pe
iiigh
Hie data was measured lor
the substance ol' interest
Appropriateness
The information or
data reflects
anticipated results
based on chemical
structural features or
behaviors.
High
The value was consistent
with the nature of the
substance.
:ilu;ition/Rc\ iew
The information or
data reported has
reliable re\ lew
High
The \alue is reported in a
secondary source which
was prepared b\ experts
and cited to a peer-
rev lewed journal article as
the original source
Reliability/Unbiased
(Method Objectivity)
The method for
producing the
data/information is not
biased towards a
particular product or
outcome.
Not rated
The value is reported in a
secondary source and does
not provide information to
determine the method
objectivity (unbiased
method). Thus, the
domain/metric was not
rated.
Reliability/ Analytic
Method
The information or
data reported is from a
reliable method
1 .o\\
The \alue is reported in a
secondai'\ and does not
pro\ ide information
regarding the anal\ Heal
method.
Overall Quality Level
High
11 of 11
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