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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
experimental study
Adequacy of study:
key study
Study period:
The study was conducted between 29 March 2016 and 21 April 2016.
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016
Report date:
2016

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
Deviations:
no
Qualifier:
according to guideline
Guideline:
EPA OPPTS 830.7570 (Partition Coefficient, n-octanol / H2O, Estimation by Liquid Chromatography)
Deviations:
no
GLP compliance:
yes (incl. QA statement)
Type of method:
HPLC method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
4-(tricyclo[5.2.1.02,6]dec-8-ylidene)butyraldehyde
EC Number:
250-078-7
EC Name:
4-(tricyclo[5.2.1.02,6]dec-8-ylidene)butyraldehyde
Cas Number:
30168-23-1
Molecular formula:
C14H20O
IUPAC Name:
4-[(8Z)-tricyclo[5.2.1.0^{2,6}]decan-8-ylidene]butanal
Test material form:
liquid
Specific details on test material used for the study:
Lot No.: VE00405355
Aspect: colourless to pale yellow liquid
Purity: 98.0% (sum of two isomers)

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
4
Temp.:
35 °C
pH:
7
Remarks on result:
other:
Remarks:
The determination was performed at 35 °C (temperature of the column) but the value obtained can be considered to represent the value at an unspecified, probably ambient temperature.
Details on results:
Under the conditions of the test, the chromatograms of Dupical show one peak at an average retention time of 7.860 minutes, corresponding to a partition coefficient (log value) of 4.0
The determination was performed at 35 °C (temperature of the column), but the value obtained can be considered to represent the value at an unspecified, probably ambient temperature since no mention is made in the guidelines of the temperature at which the tabulated reference substances lo Pow values were determined. Partition coefficients of the test and reference substances are assumed to vary with the temperature in the same way.

Applicant's summary and conclusion

Conclusions:
In the conditions of the test, the chromatograms of Dupical show one peak at an average retention time of 7.860 minutes, corresponding to a partition coefficient (log value) of 4.0
Executive summary:

The partition coefficient n-octanol/water of Dupical was determined by the Reverse Phase High Performance Liquid Chromatographic Method according to the OECD Guidelines for Testing of Chemicals, Method No. 117. The result is:

Partition coefficient n-octanol/water of Dupical: LogPow = 4.0