Registration Dossier
Registration Dossier
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EC number: 615-086-0 | CAS number: 70225-05-7
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Remarks:
- Migrated phrase: estimated by calculation
- Adequacy of study:
- key study
- Study period:
- 2010 calculated
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: The reliability rating was 2 because the data were estimated by calculation.
Data source
Reference
- Reference Type:
- other: Computer model
- Title:
- Unnamed
- Year:
- 2 000
- Report date:
- 2010
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: computer model
- Principles of method if other than guideline:
- The log Kow was calculated using the WSKow (v1.41) Epi Suite (2000)(v.3.12) computer model that estimates the log Kow based upon chemical structure.
- GLP compliance:
- no
- Type of method:
- other: EPI Suite v3.12
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Ester reaction products of isodecyl and isotridecyl alcohols with trimellitic anhydride
- IUPAC Name:
- Ester reaction products of isodecyl and isotridecyl alcohols with trimellitic anhydride
- Details on test material:
- SMILES notation used: CC(CCCCCCCOC(=O)(c1cc(C(=O)(OCCCCCCCC(C)C))c(C(=O)(OCCCCCCCCCCC(C)C))cc1))C. This represent one of many possible isomeric structures for the ester reaction products of isodecyl and isotridecyl alcohols with trimellitic anhydride, the registrant test substance
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 16.01
- Temp.:
- 25 °C
- Remarks on result:
- other: Estimated using EPI-Suite v3.12
Applicant's summary and conclusion
- Conclusions:
- The test substance has a calculated log Kow value of 16.01 using the US EPA EPI Suite v3.12 model.
- Executive summary:
The test substance has a calculated log Kow value of 16.01 using the US EPA EPI Suite v3.12 model.
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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