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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
carcinogenicity
Remarks:
other: no data
Type of information:
calculation (if not (Q)SAR)
Remarks:
Migrated phrase: estimated by calculation
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)

Data source

Reference
Reference Type:
other: Authoritative data base
Title:
Danish QSAR study for CAS No.: 1694-31-1
Author:
Danish EPA Model
Year:
2012
Bibliographic source:
QSAR predictions by Danish Environmental Protection Agency (EPA)model powered by OASIS database:- Commercial

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: Modelling database
Principles of method if other than guideline:
FDA Cancer Female Mouse: Multicase model AF4.
GLP compliance:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
3,3-dimethylbutyryl chloride
EC Number:
216-904-5
EC Name:
3,3-dimethylbutyryl chloride
Cas Number:
1694-31-1
Molecular formula:
C8H14O3
IUPAC Name:
3,3-dimethylbutyryl chloride
Test material form:
liquid
Details on test material:
- Name of test material : tert-butyl 3-oxobutanoate- Molecular formula : C8H14O3- Molecular weight : 158.196 g/mol- Smiles notation : O(C(C)(C)C)C(CC(C)=O)=O- InChl : 1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3- Substance type : Organic- Physical state : Liquid

Test animals

Species:
mouse
Strain:
not specified
Sex:
female

Administration / exposure

Route of administration:
other: no data
Type of inhalation exposure (if applicable):
not specified
Vehicle:
not specified

Results and discussion

Effect levels

Based on:
test mat.
Sex:
female
Basis for effect level:
other: Non carcinogenic
Remarks on result:
other: Effect type: carcinogenicity (migrated information)

Applicant's summary and conclusion

Conclusions:
The substance is non carcinogenic in female mice.