Hydrogenated Cetyl Olive Oil Esters

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:

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

Type of method:

other: QSPR model adapted specifically from OECD test guidelines: OECD 107 and 123

Partition coefficient type:

octanol-water

Test material

Test material information

Constituent 1

Reference substance name:

Hydrogenated Stearyl Olive Oil Esters

Molecular formula:

not available

IUPAC Name:

Hydrogenated Stearyl Olive Oil Esters

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.