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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
2021
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: State of the art review of the partition coefficient n-octanol/water. An experimental determination of the partition coefficient n-octanol/water using OECD methods was not applicable due to the substance's properties.
Justification for type of information:
State of the art review of the partition coefficient n-octanol/water. An experimental determination of the partition coefficient n-octanol/water using OECD methods was not applicable due to the substance's properties.
please see attached justification below.

Data source

Reference
Reference Type:
other: state of the art report
Title:
Unnamed
Year:
2021

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
The partition coefficient of the test substances's constituents were estimated through computational methods recommended in chapter R.7a, in: Guidance on information requirements and chemical safety assessment. The calculations were performed with the program KOWWIN.
Litterature review was also performed on each of the constituents:
Pubchem data and REACH registration dossier's data were reported when available.
GLP compliance:
no

Test material

Constituent 1
Reference substance name:
Docosan-1-ol, icosan-1-ol, octadecan-1-ol and their reaction products with betaine and ethanesulphonic acid
IUPAC Name:
Docosan-1-ol, icosan-1-ol, octadecan-1-ol and their reaction products with betaine and ethanesulphonic acid
Test material form:
solid: bulk

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
> -5.91 - < 21.397
Remarks on result:
other: pH and Temperature are not available since the partition coefficient value provided is the interval between the constituent having the lower logP and the constituent having the highest.

Applicant's summary and conclusion

Executive summary:

None of the existing OECD test were applicable to this substance.


therefore, a calculation value based on each constituents is provided.


The expected LogP value for the substance Eicosan-1-ol, docosan-1-ol, octadecan-1-ol and their reaction products with glycine betaine and ethanesulphonic acid is >-5.9095 and <21.3966.