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Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
guideline study with acceptable restrictions

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Report date:
2018

Materials and methods

Test guidelineopen allclose all
Qualifier:
according to guideline
Guideline:
OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
Qualifier:
according to guideline
Guideline:
EU Method A.8 (Partition Coefficient - Shake Flask Method)
GLP compliance:
no
Type of method:
flask method
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
2-propylvaleronitrile
EC Number:
236-338-2
EC Name:
2-propylvaleronitrile
Cas Number:
13310-75-3
Molecular formula:
C8H15N
IUPAC Name:
2-propylpentanenitrile

Study design

Analytical method:
gas chromatography

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
ca. 2.71
Temp.:
21.8 °C
pH:
ca. 5

Applicant's summary and conclusion

Conclusions:
The partition coefficient of 2-propylvaleronitrile (Log Pow) was determined to be 2.71 by the shake flask method.

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