Registration Dossier
Registration Dossier
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EC number: 297-628-2 | CAS number: 93685-80-4
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Remarks:
- PETRORISK calculations
- Justification for type of information:
- The substance is a hydrocarbon UVCB. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint is characterised using quantitative structure property relationships for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with the PETRORISK model (see Product Library in PETRORISK spreadsheet attached below in Attached Justification as well as in IUCLID section 13)
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Model(s) used: PETRORISK v7.04 that incorporates the updated TLM that resulted from the 2014 – 2016 Concawe projects performed in response to an ECHA compliance check
- GLP compliance:
- not specified
- Type of method:
- other: PETRORISK
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 6.13
- Remarks on result:
- other: pH and temperature are not calculated
- Conclusions:
- Partition coefficient calculated in PETRORISK is ca. 6.13
- Executive summary:
The substance is a hydrocarbon UVCB. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint is characterised using quantitative structure property relationships for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with the PETRORISK model (see Product Library in PETRORISK spreadsheet attached in the RSS justification as well as in IUCLID section 13).
Partition coefficient calculated in PETRORISK is ca. 6.13
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Company data.
- Justification for type of information:
- The justification for read across is provided as an attachment in IUCLID Section 13.
- Reason / purpose for cross-reference:
- read-across: supporting information
- Principles of method if other than guideline:
- Validated QSAR model
- GLP compliance:
- no
- Remarks:
- QSAR calculation
- Type of method:
- other: QSAR calculation
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- > 7
- Temp.:
- 20 °C
- Remarks on result:
- other: QSAR calculation
- Conclusions:
- Log Pow of isohexadecane is > 7.
- Executive summary:
Log Pow of isohexadecane is > 7 (company data).
Referenceopen allclose all
Description of key information
Hydrocarbons, C4, 1,3-butadiene-free, polymd., tetraisobutylene fraction, hydrogenated is a hydrocarbon UVCB. Standard tests for this endpoint are intended for single substances and are not appropriate for this complex substance. However, this endpoint is characterised using quantitative structure property relationships for representative hydrocarbon structures that comprise the hydrocarbon blocks used to assess the environmental risk of this substance with the PETRORISK model (see Product Library in PETRORISK spreadsheet attached in the RSS justification as well as in IUCLID section 13).
Partition coefficient calculated in PETRORISK is ca. 6.13
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 6.13
- at the temperature of:
- 20 °C
Additional information
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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