Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: scientifically acceptable method

Data source

Reference
Reference Type:
other: calculation
Title:
3-Cyclohexen-1-one, 3,5,5-Trimethyl
Author:
BASF SE
Year:
2011
Bibliographic source:
BASF SE Department of Product Safety, unpublished calculation, EPISuite V4.00, 15.07.2011

Materials and methods

Test guideline
Guideline:
other: calculation EpiSuite
GLP compliance:
no
Type of method:
other: KOWWINv1.68
Partition coefficient type:
octanol-water

Test material

Constituent 1
Chemical structure
Reference substance name:
3,5,5-trimethylcyclohex-3-en-1-one
EC Number:
207-434-1
EC Name:
3,5,5-trimethylcyclohex-3-en-1-one
Cas Number:
471-01-2
Molecular formula:
C9H14O
IUPAC Name:
3,5,5-trimethylcyclohex-3-en-1-one
Details on test material:
Analytical purity: pure

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
2.329
Temp.:
25 °C

Any other information on results incl. tables

The substance has no ionic character so the pH is not relevant.

Applicant's summary and conclusion