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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

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:
2010
Report date:
2011

Materials and methods

Test guideline
Qualifier:
according to 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:
3-cyano-3,5,5-trimethylcyclohexanone
EC Number:
411-490-4
EC Name:
3-cyano-3,5,5-trimethylcyclohexanone
Cas Number:
7027-11-4
Molecular formula:
C10 H15 N O
IUPAC Name:
3-cyano-3,5,5-trimethylcyclohexanone
Details on test material:
Name of test material (as cited in study report): ISOPHORONNITRIL REIN, Batch identification "B892 v. 16.06.201009:30 Uhr"
Analytical purity: 98.5 area-% for the main component and 1.0 area-% for
isophorone by gas chromatography

Results and discussion

Partition coefficientopen allclose all
Type:
log Pow
Partition coefficient:
1.6
Temp.:
23 °C
pH:
6.1
Remarks on result:
other: main component
Type:
log Pow
Partition coefficient:
1.8
Temp.:
23 °C
pH:
6.1
Remarks on result:
other: isophorone

Applicant's summary and conclusion