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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

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
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
Partition coefficient type:
octanol-water

Test material

Constituent 1
Reference substance name:
hydrogenated decyl olive oil esters
Molecular formula:
not applicable
IUPAC Name:
hydrogenated decyl olive oil esters
Specific details on test material used for the study:
SMILES:
- Decyl octadecanoate: CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC
- Decyl hexadecanoate: CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
>= 13 - <= 14
Temp.:
25 °C
Remarks on result:
other: Calculated value, therefore, no pH is available.

Applicant's summary and conclusion

Conclusions:
The log KOW values for the test item is estimated by calculation between 13 and 14 at 25°C.