Registration Dossier

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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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

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BASF SE Department of Product Safety, unpublished calculation, EPISuite V4.00, 15.07.2011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