Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
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EC number: 700-618-7 | CAS number: 39202-17-0
Distribution modelling
Administrative data
- Endpoint:
- distribution modelling
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Meets generally accepted scientific standards, well document and acceptable for assessment
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: validated suite of computer programs
- Title:
- Unnamed
- Year:
- 2 008
Materials and methods
- Model:
- other: Level III Fugacity
- Calculation programme:
- Level III fugacity model accessed via Epiweb v 4.10
- Release year:
- 2 008
Test material
- Reference substance name:
- methyl dodec-9-enoate
- EC Number:
- 700-618-7
- Cas Number:
- 39202-17-0
- Molecular formula:
- C13H24O2
- IUPAC Name:
- methyl dodec-9-enoate
- Details on test material:
- - Name of test material (as cited in study report): 9DDAME
- Molecular formula: C13H24O2
- Molecular weight: 212.34
- Smiles notation: COC(=O)CCCCCCCC=CCC
Constituent 1
Study design
- Test substance input data:
- Physical property inputs:
- Log Kow (octanol-water): 5.90
- Boiling Point (deg C): 267.00
- Melting Point (deg C): -20.00
- Vapour Pressure (mm Hg): 0.0074444
- Water solubility (mg/L): 1.05
Results and discussion
Percent distribution in media
- Air (%):
- 0.309
- Water (%):
- 19.4
- Soil (%):
- 79.5
- Sediment (%):
- 0.827
- Other distribution results:
- See the attached document 39202-17-0_EPIWIN output_20121126.pdf for the Level III fugacity output
Applicant's summary and conclusion
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.
