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Physical & Chemical properties

Partition coefficient

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Administrative data

Endpoint:
partition coefficient
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
1 (reliable without restriction)
Rationale for reliability incl. deficiencies:
other: GLP guideline study

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2007
Report date:
2007

Materials and methods

Test guideline
Guideline:
OECD Guideline 117 (Partition Coefficient (n-octanol / water), 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:
(E)-5[(4-chlorophenyl)methylene]-2,2-dimethylcyclopentanone
EC Number:
410-440-9
EC Name:
(E)-5[(4-chlorophenyl)methylene]-2,2-dimethylcyclopentanone
Cas Number:
164058-20-2
Molecular formula:
C14 H15 Cl O
IUPAC Name:
(5E)-5-[(4-chlorophenyl)methylidene]-2,2-dimethylcyclopentan-1-one
Details on test material:
- Name of test material (as cited in study report): 5-(4-chlorobenzylidene)-2,2,-dimethylcyclopentanone
- Analytical purity: 96.8%
- Lot/batch No.: COD-000462

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
4.3
Temp.:
23 °C
pH:
6.4
Remarks on result:
other: ambient temperature
Type:
log Pow
Partition coefficient:
4.48
Temp.:
25 °C
Remarks on result:
other: calculated according to EPISuite-software v.3.12

Applicant's summary and conclusion