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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 932-286-6 | CAS number: -
Adsorption / desorption
Administrative data
- Endpoint:
- adsorption / desorption
- Remarks:
- other: calculation
- Type of information:
- (Q)SAR
- Adequacy of study:
- other information
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Accepted calculation method
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: EPISUITE calculation
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
- Principles of method if other than guideline:
- other: Calculation with KocWin Progam (v2.00), part of EpiSuite
- GLP compliance:
- no
Test material
- Reference substance name:
- 2,2,4,6,6-pentamethylheptane-4-thiol
- EC Number:
- 296-714-7
- EC Name:
- 2,2,4,6,6-pentamethylheptane-4-thiol
- Cas Number:
- 93002-38-1
- Molecular formula:
- C12H26S
- IUPAC Name:
- 2,2,4,6,6-pentamethylheptane-4-thiol
- Details on test material:
- - Smiles notation: CC(C)(C)CC(C)(S)CC(C)(C)C
Constituent 1
Results and discussion
Adsorption coefficientopen allclose all
- Type:
- Koc
- Value:
- 2 644
- Remarks on result:
- other: [L/kg], MCI method
- Type:
- log Koc
- Value:
- 3.422
- Remarks on result:
- other: MCI method
- Type:
- Koc
- Value:
- 119 300
- Remarks on result:
- other: [L/kg], Kow method
- Type:
- log Koc
- Value:
- 5.077
- Remarks on result:
- other: Kow method
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.
