Registration Dossier
Registration Dossier
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 220-912-4 | CAS number: 2935-90-2
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2009
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Acceptable calculation method. Critical study for SIDS endpoint
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Cross-referenceopen allclose all
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to other study
Data source
Reference
- Reference Type:
- other: EPA software program
- Title:
- Estimations Programs Interface (EPI) Suite™ for Microsoft Windows®, v4.00.
- Author:
- USEPA
- Year:
- 2 009
- Bibliographic source:
- United States Environmental Protection Agency, Washington, DC, USA.
Materials and methods
- Model:
- other: Level III Fugacity Model
- Calculation programme:
- Level III Fugacity Model (Full-Output):
- Release year:
- 2 009
- Media:
- air - biota - sediment(s) - soil - water
Test material
- Reference substance name:
- Methyl 3-mercaptopropionate
- EC Number:
- 220-912-4
- EC Name:
- Methyl 3-mercaptopropionate
- Cas Number:
- 2935-90-2
- Molecular formula:
- C4H8O2S
- IUPAC Name:
- methyl 3-sulfanylpropanoate
- Details on test material:
- - Name of test material (as cited in study report): Propanoic acid, 3-mercapto-, methyl ester
- Molecular formula (if other than submission substance): C4 H8 O2 S1
- Molecular weight (if other than submission substance): 120.17
- Smiles notation (if other than submission substance): O=C(OC)CCS
- Substance type: organic
- Physical state: liquid
- Analytical purity: >99%
Constituent 1
Study design
- Test substance input data:
- - Molar mass: N/A
- Data temperature:N/A
- Water solubility: N/A
- Vapour pressure: 2.15 mm Hg
- log Pow: 0.9
- Mineral matter - water partition coefficient
- Melting point: N/A
- Reaction half-life estimates for
- Air: 6.11
- Water: 360
- Soil: 720
- Sediment: 3240
- Suspended sediment: N/A
- Aerosols: N/A
- Aquatic biota: N/A - Environmental properties:
- N/A
Results and discussion
Percent distribution in media
- Air (%):
- 0.92
- Water (%):
- 39.8
- Soil (%):
- 59.2
- Sediment (%):
- 0.09
- Other distribution results:
- N/A
Any other information on results incl. tables
Mass Amount Half-Life Emissions (percent) (hr) (kg/hr)
Air 0.92 6.11 1000
Water 39.8 360 1000
Soil 59.2 720 1000
Sediment 0.0908 3.24e+003 0
Fugacity Reaction Advection Reaction Advection (atm) (kg/hr) (kg/hr) (percent) (percent)
Air 1.95e-011 1.09e+003 96.1 36.4 3.2
Water 2.8e-010 802 416 26.7 13.9 Soil 8.33e-009 595 0 19.8 0
Sediment 2.55e-010 0.203 0.019 0.00677 0.000633
Persistence Time: 348 hr
Reaction Time: 420 hr
Advection Time: 2.04e+003 hr
Percent Reacted: 82.9
Percent Advected: 17.1
Half-Lives (hr), (based upon Biowin (Ultimate) and Aopwin):
Air: 6.108
Water: 360
Soil: 720
Sediment: 3240
Biowin estimate: 3.074 (weeks )
Advection Times (hr):
Air: 100
Water: 1000
Sediment: 5e+004
Applicant's summary and conclusion
- Conclusions:
- The half-lives of the test substance in each environmental medium were found to be 6.108 h in air, 360 h in water, 720 h in soil and 3240 h in sediment.
- Executive summary:
N/A
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
