Sustainable Futures
Summary Assessment
Using
P2 Framework Models
This document was developed to help compile estimation results from U.S. EPA OPPT's P2
Framework Models www.epa.qov/oppt/p2framework/ and is used by OPPT during Sustainable
Futures (SF) training described at www.epa.gov/opptintr/newchems/sustainablefutures.htm.
Participants in the voluntary SF Pilot Project are asked to submit the information contained in this
assessment along with their SF PMNs in their choice of format.
Use of this specific format is not mandatory.
Chemical Assessed (Sample Chemical 2):
1-methyl-3-(2-methylpropyl)-cyclohexanol
CAS Registry Number:
215231-33-7
Participant Name:
SF Trainers
Date of Assessment:

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Use the following document to create a Sustainable Future Summary Assessment
for Sample Chemical 2. The boxes that are shaded dark gray will need to be filled in
with the appropriate data during the hand-on sessions corresponding to each of the
sections.
Within some shaded cells there will be references such as (EPI), (ECOSAR), (E-FAST),
(exp), or (calculated). These refer to how the values were derived and it is important
that these references are always included with the data for the SF Chemical.
In this example document there is also additional notation within some cells that refer to
the Interpretive Guidance Document which look like "IGD, page X". This notation is
provided to assist in completing each section during the hands-on sessions and is
specific to those cells (endpoints) where they are located. The Interpretive Guidance
Document is useful when determining values or interpreting data.
The first page of the SF document is shown on the right and contains:
Information on the chemicals structure, identity, use, and manufacturing.
A summary of all the findings from the SF Assessment for environmental
transport and fate, aquatic toxicity, human health effects hazards, PBT Profiler
screen, and the risk assessments that should be completed AT THE END of the
training seminar (shaded boxes on the bottom).
At the end of the training session, after all hands-on session have been completed,
return to this page and complete the summary section.
Step-by-Step instructions for the all of the Hands-On Sessions can be found in
Appendix A of this document.
Please turn to the next page to begin filling out the SF Summary Assessment for:
Sample Chemical 2

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Record ID: Training Session Sample Chemical 2
CAS No. 215231-33-7
A
HO
MW: 170.30
MF: CnH^Oj
Physical Form: Colorless Liquid
Submitter: SF Trainers, Inc.
Trade Name: SMELLPRETTY
Use: Fragrance
Production Volume: 10,000 kg/yr
SMILES: C1(CCCC(C1)CC(C)C)(0)C
Name: Cyclohexanol, l-methyl-3-(2-methylpropyl)-
Synonyms:
SUSTAINABLE FUTURES SUMMARY:
Concern Level
HIGH
MODERATE
LOW
Persistence



Bioconcentration



Cancer Health Hazard



Non-Cancer Health Hazard



Aquatic Toxicity Hazard



Is the chemical predicted to be a PBT by PBT Profiler?

Overall Hazard Concern
Human Health:
Aquatic:
Overall Risk
11 u in :i n 1 loallli:
Aquatic:

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EPI Suite Hands-On Session:
Predictions for the "Physical/Chemical Properties" Section
"Environmental Transport and Fate" Section
Run the EPI Suite Model and fill in only the shaded cells for the Physical/Chemical Properties and
Environmental Transport and Fate Sections shown on the page to the right.
Input: Enter the chemical structure into EPI Suite's data entry screen using SMILES notation. The SMILES
notation for Sample Chemical 2 is in a file called exsmiles.txt on the desktop. Experimental data on the
SF chemical should also be entered into the data entry screen for EPI Suite:
Enter into EPI Suite data entry screen:
SMILES: C1(CCCC(C1)CC(C)C)(0)C
Water Solubility: 189 mg/L
Vapor Pressure: 0.725 mm Hg @ 25 deg C
Boiling Point: 209 deg C
Melting Point: 20 deg C (for liquids with unknown MP, always enter an exp. value of 20 deg C)
Output: Predictions from EPI Suite for the physical/chemical properties and environmental transport and
fate endpoints should be entered into the table. Transfer the value for each endpoint from the EPI results
screen to the appropriate boxes in each section. Note: The reference (EPI) has already been entered.
Byproducts should only be assessed when there is sufficient experimental data to indicate that the
degradation products or metabolites are the active species contributing to the toxicity of the chemical.
Physical/Chemical Properties give the assessor an indication of how the chemical may behave in the
environment as well as potential routes of exposure. For example, chemicals with low water solubility will
have low concentrations in aqueous media and are less likely to reach concentrations that may cause harm
to aquatic species.
Environmental Fate and Transport Properties will give the assessor an indication of what the potential risks
may be to the environment. For example, knowing the approximate time for a chemical to biodegrade will
help the assessor determine chemical concentrations at downstream locations or help the assessor to
determine the chemical's persistence in the environment.
See the Interpretive Guidance Document, page 1, for criteria for each endpoint listed under the
Physical/Chemical Properties and Environmental Transport and Fate Sections.

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CAS No. 215231-33-7
Submitter: SF Trainers, Inc.
PHYSICAL/CHEMICAL PROPERTIES
Melting Point (deg C)
20 (Entered as exp value for all liquids with unknown MP)
Boiling Point (deg C)
209 (exp)
Boiling Point Pressure (mm Hg)
760 (exp)
Vapor Pressure (mm Hg)
0.725 @ 25 deg C (exp)
Water Solubility
189 mg/L @ 20 deg C, pH unspecified (exp)
Log Kqyv
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ECOSAR Hands-On Session:
Predictions for the "Aquatic Toxicity" Section
Run ECOSAR and fill in only the shaded cells for the Aquatic Toxicity section on the right.
Input: Enter the chemical structure into ECOSAR using SMILES notation. Experimental data on the
SF chemical should also be entered into the data entry screen for ECOSAR, although no data were
located for this chemical.
Output: Please enter a complete profile of 3 acute values and 3 chronic values into the Aquatic Toxicity
section on the right. These values for Sample Chemical 2 can be found in the ECOSAR output. Please
refer to the Interpretive Guidance Document page 5, and using the criteria, assign an "Overall Level of
Concern for Aquatic Toxicity" based on the predicted data from the toxicity profile.
OncoLogic Hands-On Session:
Predictions for the "Cancer Health Effects" Section
Run OncoLogic and fill in only the shaded cells for the Cancer Health Effects section on the page to the
right. »*****»>
Input: Complete a Functional Arm Analysis in OncoLogic for Chemical 2. The test category will be
"Genotoxicity and DNA Reactivity Data".
Output: A "Justification Report" will be generated at the end of this session that will give the predicted
concern level from OncoLogic. This prediction will be entered into the "OncoLogic Results" cell in the
Cancer Health Effects section. Experimental data for the chemical or appropriate analog should also be
entered if available. For this chemical, the experimental data has already been entered into the table.
Refer to the Interpretive Guidance Document, page 7, and assign an "Overall Level of Concern for
Carcinogenicity" based on the predicted and experimental data.
Non-Cancer Health Effects Hands-On Session:
Data for the "Non-Cancer Health Effects" Section
There are currently no computerized tools to assist in the Non-Cancer Health Effects evaluation process.
This portion of the SF Assessment relies on experimental data for the SF chemical or appropriate analog.
The experimental data identified for Sample Chemical 2 have already been entered into the appropriate
shaded cells in the Non-Cancer Health Effects section on the page to the right,
If a Moderate or High level of concern is determined based on the data for any endpoint, then a NOAEL or
LOAEL value (or both) must be identified for that endpoint. For these examples, the values have already
been provided in the sheet. These values will be used later for calculations to determine potential risks to
human health.
Please determine the concern level for each of the endpoints with experimental data using the criteria on
page 8 of the Interpretive Guidance Document and then assign an "Overall Level of Concern for Non-
Cancer Health Effects" based on the most sensitive endpoint (highest individual concern level and lowest
NOAEL or LOAEL value).
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CAS No. 215231-33-7
Submitter: SF Trainers, Inc.
AQUATIC TOXICITY:
ECOSAR CLASS

Acute Toxicity
Fish LC50
(lit OSAR)
Daphnid LCso
(IX'OSAR)
Green Algae ECso
(IX OS A R)
Chronic Toxicity
Fish ChV
(IX'OSAR)
Daphnid ChV
(IX'OSAR)
Green Algae ChV
(IX'OSAR)
Overall Hazard Concern for Aquatic Toxicity
(l(il.) Page 5)
CANCER HEALTH EFFECTS:
Experimental Data
The structural analog, D,L-menthol, tested negative in a 2-year
dietary cancer bioassay in rats and mice (1)
Oncologic Result
SAR analysis cannot be performed using OncoLogic.
Functional analysis indicates that there is evidence suggesting
that the substance does not initiate carcinogenesis.
Overall Hazard Concern for Carcinogenicity
, based on professional judgment
NON-CANCER HEALTH EFFECTS:
Acute Toxicity
No effects observed in rats after single administration of 2000
mg/kg via oral or dermal exposure (2).
Irritation
The substance caused severe eye and skin irritation in rabbits
(2).
Skin Sensitizer
The test substance did not induce sensitization in guinea pigs
(2).
Reproductive Effects
No reproductive toxicity studies were located; however, the
structural analog, d,l-menthol, did not affect reproductive
organs in male or female rats or mice in a 2-year dietary
exposure cancer bioassay.
Immune System Effects

Genotoxicity

Mutagenicity
Substance tested negative in Ames test (submitter).
Systemic Effects
IGD. Page 8 The structural analog d,l-menthol
caused a significant reduction in survival of female rats in a 2-
year dietary exposure study. NOAEL = approx. 300 mg/kg-
day; LOAEL = approx. 600 mg/kg-day (3)
Neurotoxicity
IGD. Page 8. No evidence of nervous system
effects was observed in a 2-year dietary exposure cancer
bioassav or in shorter-term studies in rats or mice (3).
Overall Hazard Concern for Non-Cancer
Health Effects

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ChemSTEER Hands-On Session:
Predictions for the "Industrial Release and Exposure Values" Section
ChemSTEER will not be run for these example chemicals. The predicted values from ChemSTEER have
already been entered into the appropriate shaded cells for the Occupational Exposure Values and
Environmental Release Values sections on the right,
The occupational exposure values for dermal contact and inhalation will later be used to determine the potential
risk from occupational exposure. The environmental release data will be used as input into E-FAST for
determination of general population exposure values.
E-FAST Hands-On Session:
Predictions for the "General Population Exposure Values " Section
Run E-FAST and fill in only the shaded cells for the General Population Exposure Values Section on the page
to the right. ¦*»»~
Refer to the Interpretive Guidance Document, page 9, for a brief description of the acute, chronic, and cancer
exposure values.
Input: Run the General Population Exposure from Industrial Release Module in E-FAST
Use: Chemical Intermediate
SIC Code: Organic Chemicals Manufacture
High End PDM Analysis (This is the more conservative model)
Output: "SIC Code" tab will have the results for the PEC, Drinking Water Exposures, and Fish Ingestion
"7q10" Exposures which should be entered into the table. The "PDM SIC" tab in E-FAST will have results for
the number of days the PEC exceeds the COC.
Risk Assessment Hands-On Session:
Determination of risk for the "Risk Assessment" Section
Please fill in all of the shaded cells for the Risk Assessment Section on the page to the right to determine
potential risk,
For Occupational Exposure an MOE for each Non-Cancer endpoint with a moderate or high hazard concern
will need to be calculated based on either an inhalation or dermal occupational exposure value from
ChemSTEER, depending on which route of exposure is the most sensitive (i.e. has the lowest exposure
concentration).
For General Population Exposure an acute MOE (if applicable) should be calculated based on an acute value
(LD50) and E-FAST acute exposure values to identify potential acute risk. An acute MOE is not applicable for
Sample Chemical 2. A chronic MOE for each non-cancer endpoint with a moderate or high hazard concern
should also be calculated based on E-FAST exposure values for the general population. An MOE should be
calculated for each of the endpoints with NOAEL and LOAEL values, and the lowest MOE value identified will be
used to determine overall potential chronic risk. That value should be entered into the SF assessment for "MOE
- Chronic General Population Exposure".
For Aquatic Toxicity the assessor must calculate an acute and chronic "Concentration of Concern (COC)",
the concentration at which potential acute or chronic aquatic toxicity may be of concern for aquatic species.
Refer to the Interpretive Guidance Document, page 10, for the calculation of acute and chronic COCs. A
comparison of the acute COC to the predicted environmental concentration (PEC) determined in E-FAST will be
done to determine acute risk. If the Acute COC exceeds the PEC, then the potential for risk exists. For chronic
risk, determine how many days per year the PEC exceeds the COC (E-Fast results). If the PEC is exceeded for
more than 20 days per year, then the potential for chronic aquatic risk exists.
Refer to the Interpretive Guidance Document, page 10, for a more complete description of the Risk
Assessment Process and MOE calculations and criteria.
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CAS No. 215231-33-7
Submitter: SF Trainers, Inc.
EXPOSURE MODELS:
INDUSTRIAL RELEASE AND EXPOSURE VALUES: CHEMSTEER
Process
Manufacturing
Number of Release Days
1
SIC Code / NPDES #
Organic Chemicals
Manufacture
Number of Facilities
80
Occupational Exposures Values

Cancer LADD
Chronic ADD
Acute APDR
Dermal
1.58 mg/kg-day
2.76 mg/kg-day
12.6 mg/kg-day
Inhalation
0.034 mg/kg-day
0.059 mg/kg-day
0.027 mg/kg-day
Environmental Releases Values
Release to Water
40 kg/year
Release to Air (Fugitive)
3.68 kg/year
Release to Landfill
N/A
Release from Incineration
N/A
Other Release Activities
N/A
GENERAL POPLULATION EXPOSURE VALUES: E-FAST
Aquatic Exposure:
Predicted Environmental Concentration (PEC) (p.g/L)
(E-FAST. IGD Page 9)
PEC Exceeds COC (days / year)
(E-FAST)
Human Exposure:

Cancer LADDpot
Chronic ADDpot
Acute ADRpot
Drinking Water (mg/kg/day)
(E-FAST)
(E-FAST)
(E-FAST)
Fish Ingestion (mg/kg/day)
(E-FAST)
(E-FAST)
(E-FAST)
Fugitive Emissions
N/A
N/A
N/A
Incineration Emissions
N/A
N/A
N/A
Landfill Leaching
N/A
N/A
N/A
Dermal - Consumer Use
N/A
N/A
N/A
Inhalation - Consumer Use
N/A
N/A
N/A
RISK ASSESMENT:
MOE - Occupational Exposure
(calc based on dermal exposure and
NOAEL for systemic and neurotoxicity,
IGD Page 12)
MOE - Acute General Population Exposure
N/A (IGD Page 12)
MOE - Chronic General Population Exposure
(calc based on fish ingestion exposure and
NOAEL for systemic and neurotoxicity.
IGD Page 12)
Acute COC - Aquatic Exposure
(calc. IGI) Page 1 <•)
Chronic COC - Aquatic Exposure
(calc. IGD Page l<>)
Risk from Occupational Exposure:
CONCLUSIO
NS:

Acute Risk to General Population: N/A



Chronic Risk to General Population:



Acute Risk to Aquatic Environment:



Chronic Risk to Aquatic Environment:



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CAS No. 215231-33-7
Submitter: SF Trainers, Inc.
EXPOSURE MODELS:
INDUSTRIAL RELEASE AND EXPOSURE VALUES: CHEMSTEER
Process
Processing 1: Formulation of
Fragrance
Number of Release Days
80
SIC Code / NPDES #
Organic Chemicals
Manufacture
Number of Facilities
1
Occupational Exposures Values

Cancer LADD
Chronic ADD
Acute APDR
Dermal
0.32 mg/kg-day
0.55 mg/kg-day
2.52 mg/kg-day
Inhalation
0.086 mg/kg-day
0.15 mg/kg-day
0.68 mg/kg-day
Environmental Releases Values
Release to Water (kg/year)
40 kg/year
Release to Air (Fugitive) (kg/year)
7.68 kg/year
Release to Landfill
N/A
Release from Incineration
N/A
Other Release Activities
N/A
GENERAL POPULATION EXPOSURE VALUES: E-FAST
Aquatic Exposure
Predicted Environmental Concentration (PEC) (jlg/L)
(E-FAST. IGD Page 9)
PEC Exceeds COC (days / year)
(E-FAST)
Human Exposure

Cancer LADDpot
Chronic ADDpot
Acute ADRpot
Drinking Water (mg/kg/day)
(E-FAST)
(E-FAST)
(E-FAST)
Fish Ingestion (mg/kg/day)
(l -l AST)
(E-FAST)
(E-FAST)
Fugitive Emissions
(mg/kg/day)
(i:-IASI)
(E-FAST)
N/A
Incineration Emissions
N/A
N/A
N/A
Landfill Leaching
N/A
N/A
N/A
Dermal - Consumer Use
N/A
N/A
N/A
Inhalation - Consumer Use
N/A
N/A
N/A
RISK ASSESMENT:
MOE - Occupational Exposure

MOE - Acute General Population Exposure
\ A
MOE - Chronic General Population Exposure

Acute COC - Aquatic Exposure (ug/L or ppb)

Chronic COC - Aquatic Exposure (ug/L or ppb)


CONCLUSIONS:

Risk from Occupational Exposure:




Acute Risk to General Population: N/A




Chronic Risk to General Population:




Acute Risk to Aquatic Environment:




Chronic Risk to Aquatic Environment:




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CAS No. 215231-33-7
Submitter: SF Trainers, Inc.
EXPOSURE MODELS:
INDUSTRIAL RELEASE AND EXPOSURE VALUES: CHEMSTEER
Process
Processing 2: Incorporation of
Fragrance into Products
Number of Release Days
250
SIC Code / NPDES #
Soaps, Detergent, etc.
Manufacture
Number of Facilities
12
Occupational Exposures Values

Cancer LADD
Chronic ADD
Acute APDR
Dermal
0.99 mg/kg-day
1.73 mg/kg-day
2.52 mg/kg-day
Inhalation
0.036 mg/kg-day
0.062 mg/kg-day
0.091 mg/kg-day
Environmental Releases Values
Release to Water (kg/year)
121 kg/year
Release to Air (Fugitive) (kg/year)
279 kg/year
Release to Landfill
N/A
Release from Incineration
N/A
Other Release Activities
N/A
GENERAL POPULATION EXPOSURE VALUES: E-FAST
Aquatic Exposure
Predicted Environmental Concentration (PEC) (jlg/L)
(1 :-l AS 1. I(il.) Paue l>)
PEC Exceeds COC (days / yea
i)

(l -l AST)

1 lu m a n 1-
xposure


Cancer I.ADDpot
Chronic ADDpol
Acute ADRpol
Drinking Water (mg/kg/day)
(l -l AST)
(l -l AST)
(l -l AST)
Fish Ingestion (mg/kg/day)
(l -l AST)
(l -l AST)
(l -l AST)
Fugitive Emissions
(mg/kg/day)
(l -l AST)
(l -l AST)
N/A
Incineration Emissions
N/A
N/A
N/A
Landfill Leaching
N/A
N/A
N/A
Dermal - Consumer Use
N/A
N/A
N/A
Inhalation - Consumer Use
N/A
N/A
N/A
RISK ASSESMENT:
MOE - Occupational Exposure

MOE - Acute General Population Exposure
N A
MOE - Chronic General Population Exposure

Acute COC - Aquatic Exposure (ug/L or ppb)

C hronic COC - Aquatic Kxposure (ug/l. or ppb)

CONCH SIONS:
Risk IVom Occupational Kxposure

Acute Risk to General Population: N A




Chronic Risk to General Population:




Acute Risk to Aquatic Kn\ ironmeiil:




Chronic Risk to Aquatic Kn\ii
oniiient:




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CAS No. 215231-33-7
Submitter: SF Trainers, Inc.
EXPOSURE MODELS:
INDUSTRIAL RELEASE AND EXPOSURE VALUES: CHEMSTEER
Process
Use
Number of Release Days
365
SIC Code / NPDES #
N/A
Number of Facilities
N/A
Occupational Exposures Values

Cancer LADD
Chronic ADD
Acute APDR
Dermal
0.20 mg/kg-day
0.35 mg/kg-day
0.504 mg/kg-day
Inhalation
5.9 x 10"4 mg/kg-day
1.0 x 10"3 mg/kg-day
1.5 x 10"3 mg/kg-day
Environmental Releases Values
Release to Water (kg/year)
4,000 kg/year
Release to Air (Fugitive)
N/A
Release to Landfill
N/A
Release from Incineration
N/A
Other Release Activities
N/A
GENERAL POPULATION EXPOSURE VALUES: E-FAST
Aquatic Exposure
Predicted Environmental Concentration (PEC) (jlg/L)
(1 :-l AS 1. I(il.) Pauc
PEC Exceeds COC (days / year)
(l -l AST)
Human Exposure

Cancer LADDpot
Chronic ADDpot
Acute ADRpot
Drinking Water (mg/kg/day)
(l -l AST)
(l -l AST)
(l -l AST)
Fish Ingestion (mg/kg/day)
(l -l AST)
(l -l AST)
(l -l AST)
Fugitive Emissions
N/A
N/A
N/A
Incineration Emissions
N/A
N/A
N/A
Landfill Leaching
N/A
N/A
N/A
Dermal - Consumer Use
(mg/kg/day)
(l -l AST)
(l -l AST)
(l -l AST)
Inhalation - Consumer Use
(mg/kg/day)
(l -l AST)
(l -l AST)
(l -l AST)
RISK ASSESMENT:
MOE - Occupational Exposure

MOE - Acute General Population Exposure
N A
MOE - Chronic General Population Exposure

Acute COC - Aquatic Exposure (ug/L or ppb)

Chronic COC - Aquatic Exposure (ug/T. or ppb)

CONCH SIONS:
Risk from Occupational Kxposure

Acute Risk to General Population: \ A




Chronic Risk to General Population:




Acute Risk to Aquatic Kn\ ironment:




Chronic Risk to Aquatic Kn\ii
oninenl:




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Analog Table:
In order to identify toxicity studies that were used either for the aquatic toxicity, human health cancer, or
human health non-cancer sections an analog table should be included with chemical name (either for the
SF chemical or appropriate analog), chemical structure, endpoint, and a brief summary of the test data
used to support conclusions reached in the SF Assessment. Also supply a list of references so that the
studies can easily be retrieved.
The analog table for Sample Chemical 2 is shown on the right.
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Table I - Selected Analogs
Analog
Structure
Concern
Identified
Basis of Concern
Cyclohexanol, 1-
methyl-3-(2-
methylpropyl)-

Irritation
Severe skin and eye
irritation observed in rabbits
D,L-menthol
HO
\
\
V i \
x / \
>—< )—
/ \ /
i \ f
Systemic toxicity
Decreased survival in female
mice given D,L-menthol in
the diet for 2-years:
NOAEL= approx. 300
mg/kg-day; LOAEL=
approx. 600 mg/kg-day.
Kidneys were affected at
higher doses in 13-week
studies.
References
(1)	United States National Toxicology Program. Chemical Status Report. NTP Chemtrack System. Research
Triangle Park, NC. November 6, 1990.
(2)	Submitted data.
(3)	NCI (National Cancer Institute). 1979. Bioassay of D,L-menthol for possible carcinogenicity. TR-98.
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Summary Section
This section should be used to verbally summarize findings from the Hazard, Exposure, and Risk Sections.
It is important that you draw conclusions about your chemical using the analytical data that you obtained
during the assessment for each of the individual sections shown on the right,
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SUMMARY SECTION:
Physical/Chemical Properties:
Environmental Fate:
Aquatic Toxicity:
Human Health. Cancer:
Human Health. Non-Cancer:
Occupational Exposure:
Population and Environmental Exposure:
Environmental Risk assessment:
Human Risk Assessment:
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