Registration Dossier
Registration Dossier
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EC number: 285-597-8 | CAS number: 85117-47-1
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The quoted value is an estimate based on an internationally recognised modelling programme.
- Justification for type of information:
- QSAR prediction
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- Unnamed
- Year:
- 2 013
Materials and methods
- Principles of method if other than guideline:
- Quantitative Structural-Activity Relationship based upon chemical structure devised from the SMILES code drawn from a database of >40,000 chemicals (called PHYSPROP©) that is included in the EPI Suite™ software.
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Benzenesulfonic acid, C16-24-alkyl derivs.
- EC Number:
- 274-262-1
- EC Name:
- Benzenesulfonic acid, C16-24-alkyl derivs.
- Cas Number:
- 70024-67-8
- IUPAC Name:
- 4-icosylbenzenesulfonic acid
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 10.68
- Temp.:
- 25 °C
- pH:
- ca. 7
Applicant's summary and conclusion
- Conclusions:
- The partition coefficient of the substance is considered to be 10.68 at 25°C based on a QSAR driven by the EPI Suite v4.0.
- Executive summary:
Removal of mineral oil is not possible without degrading the chemical struture of the substance. It was therefore considered acceptable to create a weight of evidence approach based upon Quantitative Structural-Activity Relationship (QSAR). The QSAR model of choice was the EPI Suite v4.0 published by the United States Environmental Protection Agency, which has estimated the partition coefficient to be 10.68 at 25°C
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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