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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Study period:
November 16 to December 22, 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)
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - HPLC Method)
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:
ethyl 2-cyclopentylidene-3-oxobutanoate
EC Number:
812-640-5
Cas Number:
95296-11-0
Molecular formula:
C11H16O3
IUPAC Name:
ethyl 2-cyclopentylidene-3-oxobutanoate
Constituent 2
Chemical structure
Reference substance name:
ethyl 2-(cyclopent-1-en-1-yl)-3-oxobutanoate
Molecular formula:
C11H16O3
IUPAC Name:
ethyl 2-(cyclopent-1-en-1-yl)-3-oxobutanoate
Specific details on test material used for the study:
Aspect : colourless to pale yellow liquid
Lot No. : SC00018589
Purity :93.8% (sum of 3 peaks)
Expiration date : June 07, 2020

Study design

Analytical method:
high-performance liquid chromatography

Results and discussion

Partition coefficientopen allclose all
Key result
Type:
log Pow
Partition coefficient:
2.2
Temp.:
35 °C
pH:
7
Type:
log Pow
Partition coefficient:
2.9
Temp.:
35 °C
pH:
7

Applicant's summary and conclusion

Conclusions:
In the conditions of the test, the chromatograms of Ethyl Cyclopentylidene acetoacetate show two peaks at average retention times of 3.540 minutes (94.4% relative peak area), corresponding to a partition coefficient (log value) of 2.2 and 4.579 minutes (5.6% relative peak area), corresponding to a partition coefficient (log value) of 2.9.

Therefore:
Partition coefficients n-octanol/water of Ethyl Cyclopentylidene acetoacetate:
log Pow = 2.2 and 2.9

Executive summary:

The Partition Coefficient n-octanol/water of Ethyl Cyclopentylidene acetoacetate 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 coefficients n-octanol/water of Ethyl Cyclopentylidene acetoacetate:     

 log Pow= 2.2 and 2.9