Registration Dossier
Registration Dossier
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EC number: 224-030-0 | CAS number: 4170-30-3
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:
- Crotonaldehyde
- EC Number:
- 224-030-0
- EC Name:
- Crotonaldehyde
- Cas Number:
- 4170-30-3
- Molecular formula:
- C4H6O
- IUPAC Name:
- but-2-enal
- Details on test material:
- SMILES: O=CC=CC
Constituent 1
Study design
- Test substance input data:
- - Molar mass: 70.09
- Data temperature: 20°C
- Water solubility: 150 g/l
- Vapour pressure: 40 hPa
- log Pow: 0.6 - 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 (%):
- 2.8
- Water (%):
- 46.1
- Soil (%):
- 51
- Sediment (%):
- 0.09
Applicant's summary and conclusion
- Conclusions:
- Based on the modelled data it can be shown that the main parts of crotonaldehyde 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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