Registration Dossier
Registration Dossier
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EC number: 230-991-7 | CAS number: 7397-62-8
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method
Data source
Reference
- Reference Type:
- publication
- Title:
- EPI Suite 4.00
- Author:
- EPA's Office of Pollution Prevention Toxics and Syracuse Research Corporation (SRC)
- Year:
- 2 008
- Bibliographic source:
- U.S. Environmental Protection Agency 2000-2008 (http://www.epa.gov/oppt/exposure/pubs/episuite.htm)
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- Fugacity Level III according to Mackay et al., included in EPI Suite v4.00
- Release year:
- 2 008
- Media:
- other: air - water - soil - sediment
Test material
- Reference substance name:
- Butyl glycollate
- EC Number:
- 230-991-7
- EC Name:
- Butyl glycollate
- Cas Number:
- 7397-62-8
- Molecular formula:
- C6H12O3
- IUPAC Name:
- butyl glycolate
- Reference substance name:
- Polysolvan O
- IUPAC Name:
- Polysolvan O
- Reference substance name:
- Glycolic acid-n-butyl ester
- IUPAC Name:
- Glycolic acid-n-butyl ester
- Reference substance name:
- Acetic acid, hydroxy-, butyl ester
- IUPAC Name:
- Acetic acid, hydroxy-, butyl ester
- Details on test material:
- SMILES: O=C(OCCCC)CO
Constituent 1
Constituent 2
Constituent 3
Constituent 4
Study design
- Test substance input data:
- - Molar mass: 132.16
- Data temperature: 25°C
- Water solubility: 46 g/l
- Vapour pressure: 1.3 hPa
- log Pow: 0.38
- Melting point: -26°C - Environmental properties:
- A fixed environmental temperature of 25 ºC is assumed. Mass transport between the compartments via volatilization, diffusion, deposition and runoff are modelled.
Results and discussion
Percent distribution in media
- Air (%):
- 8.32
- Water (%):
- 37.5
- Soil (%):
- 54.1
- Sediment (%):
- 0.07
Applicant's summary and conclusion
- Conclusions:
- Based on the modelled data it can be shown that the main parts of Polysolvan O are distributed in soil and water. Only a small part can be found in the air, whereas the distribution in the sediment is negligible.
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