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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Toxicological information

Skin sensitisation

Currently viewing:

Administrative data

Endpoint:
skin sensitisation
Remarks:
in vivo
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Data is from Danish (Q)SAR database

Data source

Reference
Reference Type:
other: Authoritative database
Title:
Skin sensitisation
Author:
Danish Environmental Protection Agency (DEPA)
Year:
2017
Bibliographic source:
Danish (Q)SAR Database, Division of Diet, Disease Prevention and Toxicology, National Food Institute, Technical University of Denmark, 2017

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other:
Principles of method if other than guideline:
The predicton is done using Danish (Q)SAR Database
GLP compliance:
not specified
Type of study:
other: Allergic contact dermatitis (ACD) in guinea pig and human

Test material

Constituent 1
Chemical structure
Reference substance name:
3,3,5-trimethylcyclohexan-1-one
EC Number:
212-855-9
EC Name:
3,3,5-trimethylcyclohexan-1-one
Cas Number:
873-94-9
Molecular formula:
C9H16O
IUPAC Name:
3,3,5-trimethylcyclohexan-1-one
Test material form:
liquid
Details on test material:
- Name of test material :3,3,5-trimethylcyclohexan-1-one
- IUPAC name: 3,3,5-Trimethylcyclohexanone
- Molecular formula :C9H16O
- Molecular weight :140.224
- Smiles notation :C1(C[C@@H](CC(C1)=O)C)(C)C
- InChl :1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3
- Substance type: Organic
- Physical state: liquid
Specific details on test material used for the study:
- Name of test material :3,3,5-trimethylcyclohexan-1-one
- Molecular formula :C9H16O
- Molecular weight :140.224
- Smiles notation :C1(C[C@@H](CC(C1)=O)C)(C)C
- InChl :1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h7H,4-6H2,1-3H3
- Substance type: Organic
- Physical state: liquid

In vivo test system

Test animals

Species:
other: guinea pig and human
Strain:
not specified
Sex:
not specified

Study design: in vivo (non-LLNA)

Induction
Route:
other: no data
Vehicle:
no data
Challenge
Route:
other: no data
Vehicle:
no data
No. of animals per dose:
No data
Details on study design:
No data
Challenge controls:
No data
Positive control substance(s):
not specified

Results and discussion

In vivo (non-LLNA)

Results
Reading:
1st reading
Group:
test chemical
No. with + reactions:
0
Clinical observations:
No skin sensitization effect were observed.
Remarks on result:
no indication of skin sensitisation

Applicant's summary and conclusion

Interpretation of results:
GHS criteria not met
Conclusions:
Another prediction done using the Danish (Q) SAR Database, the skin sensitization was estimated to be negative on guinea pig and human for 3,3,5-trimethylcyclohexan-1-one .Using Battery algorithm model of Danish QSAR, Allergic Contact Dermatitis for 3,3,5-trimethylcyclohexan-1-one was estimated to be not sensitizing when applied to human and guinea pig skin.
Executive summary:

Another prediction done using the Danish (Q) SAR Database, the skin sensitization was estimated in guinea pig and human for 3,3,5-trimethylcyclohexan-1-one .Using Battery algorithm model of Danish QSAR, Allergic Contact Dermatitis for 3,3,5-trimethylcyclohexan-1-one was estimated to be not sensitizing when applied to human and guinea pig skin.

Based on the estimated result, test chemical 3,3,5-trimethylcyclohexan-1-one can be considered to be not sensitising to skin and hence does not classify in skin sesntisation catergory as per CLP regulation.