Registration Dossier
Registration Dossier
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EC number: 201-195-7 | CAS number: 79-31-2
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- other information
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: accepted calculation method
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 009
- Report date:
- 2009
Materials and methods
- Model:
- calculation according to Mackay, Level III
- Calculation programme:
- US EPA EPI SUITE v4.00
- Release year:
- 2 009
- Media:
- other: air-water-soil-sediment
Test material
- Reference substance name:
- Isobutyric acid
- EC Number:
- 201-195-7
- EC Name:
- Isobutyric acid
- Cas Number:
- 79-31-2
- Molecular formula:
- C4H8O2
- IUPAC Name:
- 2-methylpropanoic acid
- Details on test material:
- - Name of test material (as cited in study report): Propanoic acid, 2-methyl-
Constituent 1
Study design
- Test substance input data:
- - Molar mass: 88.11
- Vapour pressure: 3.27 mm Hg
- log Pow: 0.94
- Mineral matter - water partition coefficient: Soil Koc: 2.25
- Reaction half-life estimates for
- Air: 192.5 hr
- Water: 208.1 hr
- Soil: 416.2 hr
- Sediment: 1873 hr
- Suspended sediment: -
- Aerosols: -
- Aquatic biota: -
Results and discussion
Percent distribution in media
- Air (%):
- 7.39
- Water (%):
- 37.5
- Soil (%):
- 55
- Sediment (%):
- 0.07
Any other information on results incl. tables
Level III Fugacity Model:
Mass Amount (percent) |
Half-Life (hr) |
Emissions (kg/hr) |
|
Air |
7.39 |
192.3 |
1000 |
Water |
37.5 |
208.1 |
1000 |
Soil |
55 |
416.2 |
1000 |
Sediment |
0.0681 |
1873 |
0 |
Persistence Time: 282 hr
Applicant's summary and conclusion
- Conclusions:
- Emissions of isobutyric acid will distribute prevalently in soil (55%) and to a slightly lesser extend in water (37.5%). The portion in air is considerably less (7.39%) with a minimal fraction in sediment (0.0681%).
The estimated persistance time is 282 hr. - Executive summary:
Estimates obtained from Level III fugacity distribution modelling using US EPA EPI Suite v4.00, model component Level III fugacity model, indicate that emissions of isobutyric acid will distribute predominantly in soil (55%) and water (37.5%), and to a considerably lesser extent in air (7.39%). The fraction in sediment is minimal (0.068%). The estimated persistance time is 282 hr (ECT, 2009).
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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