Registration Dossier

Physical & Chemical properties

Partition coefficient

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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:
2018
Report Date:
2018

Materials and methods

Test guideline
Qualifier:
according to
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
Name:
Unnamed
Type:
Constituent
Test material form:
solid
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.