Registration Dossier
Registration Dossier
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EC number: 921-980-4 | CAS number: -
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Study period:
- 2018
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 018
- Report date:
- 2018
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs R.6 (QSPR model adapted specifically from OECD test guidelines: OECD 107 and 123)
- Principles of method if other than guideline:
- Calculation method based on constituent QSAR results
- Type of method:
- other: QSPR model adapted specifically from OECD test guidelines: OECD 107 and 123
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Hydrogenated Stearyl Olive Oil Esters
- Molecular formula:
- not available
- IUPAC Name:
- Hydrogenated Stearyl Olive Oil Esters
- Test material form:
- solid
Constituent 1
- Specific details on test material used for the study:
- SMILES:
- stearyl octadecanoate: CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC
- stearyl hexadecanoate: CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
- glyceryl monostearate: CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
- glyceryl distearate: CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)O
- glyceryl tristearate: CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- >= 6.7 - <= 26
- Temp.:
- 25 °C
- Remarks on result:
- other: Calculated value, therefore, no pH is available
Applicant's summary and conclusion
- Conclusions:
- According to QSAR model adapted specifically from the test guideline OECD 107 and 123, the log KOW values for the major constituents of the test item, a UVCB substance, were estimated between 6.7 and 26 at 25°C.
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