Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
06/12/2017-20/12/2017
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Test guideline
Guideline:
other: REACH Guidance on QSARs R.6 (following OCDE 107 and 123)
Principles of method if other than guideline:
Not required
GLP compliance:
not specified
Other quality assurance:
other: Not applicable
Type of method:
other: Not applicable
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
Undecenoic acid
EC Number:
215-583-9
EC Name:
Undecenoic acid
Cas Number:
1333-28-4
Molecular formula:
C11H20O2
IUPAC Name:
undec-2-enoic acid
Specific details on test material used for the study:
SMILE : C=CCCCCCCCCC(=O)[O-].[Na+]

Study design

Analytical method:
not specified

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
ca. 4.1
Temp.:
25 °C
Remarks on result:
other: QSAR predicted value
Details on results:
Not applicable

Applicant's summary and conclusion

Executive summary:

The log Kow value anticipated following a n-octanol/water partitioning study according to OECD guideline 10 and 123 is 4.1 at 25°C