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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
biotransformation and kinetics
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: Study well documented, meets generally accepted scientific principles, acceptable for assessment

Data source

Reference
Reference Type:
publication
Title:
Preparation of aroma compounds by microbial transformation of isophorone with Aspergillus niger
Author:
Mikami Y, Fukunaga Y, Arita M, Obi Y and Kisaki T
Year:
1981
Bibliographic source:
Agric. Biol. Chem. 45, 791-793

Materials and methods

Type of medium:
other: fungi

Test material

Constituent 1
Chemical structure
Reference substance name:
3,5,5-trimethylcyclohex-2-enone
EC Number:
201-126-0
EC Name:
3,5,5-trimethylcyclohex-2-enone
Cas Number:
78-59-1
Molecular formula:
C9H14O
IUPAC Name:
3,5,5-trimethylcyclohex-2-enone

Results and discussion

Transformation products:
yes
Identity of transformation productsopen allclose all
No.:
#1
Reference
Reference substance name:
Unnamed
IUPAC name:
3,5,5-trimethyl-2-cyclohexene-1,4-dione
Identity:
3,5,5-trimethyl-2-cyclohexene-1,4-dione
No.:
#2
Reference
Reference substance name:
Unnamed
IUPAC name:
3,5,5-trimethylcyclohexane-1,4-dione
Identity:
3,5,5-trimethylcyclohexane-1,4-dione
No.:
#3
Reference
Reference substance name:
Unnamed
IUPAC name:
4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one
Identity:
4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one
No.:
#4
Reference
Reference substance name:
Unnamed
IUPAC name:
3-hydroxymethyl-5,5-dimethyl-2-cyclohexen-1-one
Identity:
3-hydroxymethyl-5,5-dimethyl-2-cyclohexen-1-one

Any other information on results incl. tables

RS-Freetext:
Microbial transformation yielded the following metabolites: 
3,5,5-trimethyl-2-cyclohexene-1,4-dione,
3,5,5-trimethylcyclohexane-1,4-dione,
4-hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one, and
3-hydroxymethyl-5,5-dimethyl-2-cyclohexen-1-one.

Applicant's summary and conclusion