Registration Dossier

Administrative data

Endpoint:
distribution modelling
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
supporting study
Study period:
not applicable
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Not GLP but accepted calculation method.

Data source

Reference
Reference Type:
other company data
Title:
Unnamed
Year:
2005

Materials and methods

Model:
calculation according to Mackay, Level III
Calculation programme:
Level I model version 2.11, Obtained from the Canadian Environmental Modeling Centre, Trent University, Peterborough, Ontario, Canada

Level III model version 2.70. Obtained from the Canadian Environmental Modeling Centre, Trent University, Peterborough, Ontario, Canada
Release year:
2 002
Media:
other: air-water-soil-sediment

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Details on test material:
diglycidyl ether of bisphenol A

Study design

Test substance input data:
Remarks: Level I model version 2.11, Obtained from the Canadian Environmental Modeling Centre, Trent University, Peterborough, Ontario, Canada

Input Parameters for Level I Model:
Property Value Source
Data Temperature (°C) 25 Default environmental temperature
Chemical Type 1 an partition into all environmental compartments
Molecular Mass (g/mol) 340.41 Calculated from molecular structure
Water Solubility (g/m3) 3.7 Estimated value [1]
VP @ 25° C (Pa) 1.0 x 10(-7) Extrapolated from measured values
Melting Point (C) 45.4 Measured value
Estimated Henry's Law Constant (H)
(Pa m3/mol) 9.2 x 10(-6) Calculated by Level I Fugacity Model [3]
Log Kow 3.84 Estimated value [1]
Simulated Emission (kg) 100,000 Level I
Simulated environment Default Level I environment

REFERENCES
1. U.S. EPA. 2003. EPI Suite software, version v3.11. United States Environmental Protection Agency, Office of Pollution Prevention and Toxics, Washington, D. C. Available at: http://www.epa.gov/oppt/exposure/docs/episuitedl.htm
2. The Dow Chemical Company. 1985. Physical properties of diglycidyl ether of bisphenol A. Unpublished report of The Dow Chemical Co., Midland, MI.
3. Mackay, D., 2001. Multimedia Environmental Models: The Fugacity Approach. Lewis Publishers, CRC Press, Boca Raton, FL. Models available at: http://www.trentu.ca/cemc/models.html



Remarks: Level III model version 2.70. Obtained from the Canadian Environmental Modeling Centre, Trent University, Peterborough, Ontario, Canada
Input Parameters for Level III Model:
Property Value Source
Data Temperature (°C) 25 Default environmental temperature
Chemical Type 1 Type 1 indicates chemical can partition into all environmental compartments
Molecular Mass (g/mol) 340.41 Calculated from molecular structure
Water Solubility (g/m3) 3.7 Estimated value [1]
Vapor Pressure @ 25° C (Pa) 1.0 x 10(-7) Extrapolated from measured values [2]
Melting Point (C) 45.4 Measured value [2]
Estimated Henry’s Law Constant (H)
(Pa m3/mol) 9.2 x 10(-6) Calculated by Level I Fugacity Model [3]
Log Kow 3.84 Estimated value [1]
Octanol-Water Partition Coefficient
Simulated environment Default Level III environment [3]
Reaction Half-lives (hr.) Input to Level III Model
Air (vapor phase) 1.9 Estimated half-life for indirect photolysis [1]
Water (no susp. solids) 1440 Half-lives in water, soil, and sediment extrapolated from predicted biodegradability [1]
Soil 2880
Sediment 12960
Suspended Sediment 1.0x10(11) Reaction in susp. sediment, fish, and aerosols are expected to be negligible
Fish 1.0x10(11)
Aerosol 1.0x10(11)


REFERENCES
1. U.S. EPA. 2003. EPI Suite software, version v3.11. United States Environmental Protection Agency, Office of Pollution Prevention and Toxics, Washington, D. C. Available at: http://www.epa.gov/oppt/exposure/docs/episuitedl.htm
2. The Dow Chemical Company. 1985. Physical properties of diglycidyl ether of bisphenol A. Unpublished report of The Dow Chemical Co., Midland, MI.
3. Mackay, D., 2001. Multimedia Environmental Models: The Fugacity Approach. Lewis Publishers, CRC Press, Boca Raton, FL. Models available at: http://www.trentu.ca/cemc/models.html



Environmental properties:
see above

Results and discussion

Percent distribution in media

Air (%):
0
Water (%):
13.8
Soil (%):
84.3
Sediment (%):
1.9
Other distribution results:
Predicted equilibrium distribution among air, water, soil, and sediments

Mackay I Model Emission Scenario
Percentage and amount (100,000 kg total emissions) distributed to:

Air
2.6 x 10(-5) %
2.6 x 10(-2) kg
Water
13.8 %
1.4 x 10(4) kg
Soil
84.3 %
8.4 x 10(4) kg
Sediment
1.9 %
1.9 x 10(3) kg

Any other information on results incl. tables

See below

Applicant's summary and conclusion

Conclusions:
This material is poorly soluble in water, has very low vapor pressure, and has a moderately high log Kow. These properties dictate that the material has low potential to volatilize from water to air, and moderate potential for adsorption to soil and sediments. When released to water (the most likely emission scenario), a significant fraction of the material will adsorb to sediment. When released to soil, the material will be primarily adsorbed to soil particles. Slow biodegradation of the material is expected to occur in these environmental compartments.
Executive summary:

A Mackay Level I and III Fugacity Model were run. This material is poorly soluble in water, has very low vapor pressure, and has a moderately high log Kow. These properties dictate that the material has low potential to volatilize from water to air, and moderate potential for adsorption to soil and sediments. When released to water (the most likely emission scenario), a significant fraction of the material will adsorb to sediment. When released to soil, the material will be primarily adsorbed to soil particles. Slow biodegradation of the material is expected to occur in these environmental compartments.