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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Acute Toxicity: oral

Currently viewing:

Administrative data

Endpoint:
acute toxicity: oral
Type of information:
experimental study
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
data from handbook or collection of data
Justification for type of information:
Data is from publication.

Data source

Referenceopen allclose all

Reference Type:
publication
Title:
Fragrance material review on the given test chemical
Author:
Lalko et al.
Year:
2007
Bibliographic source:
Food and Chemical Toxicology
Reference Type:
publication
Title:
A toxicologic and dermatologic assessment on test chemical
Author:
Belsito et al.
Year:
2007
Bibliographic source:
Food and Chemical Toxicology
Reference Type:
publication
Title:
Assessment Report - Test chemical
Author:
ADAMS et al.
Year:
1996
Bibliographic source:
Food and Chemical Toxicology
Reference Type:
publication
Title:
SAFETY EVALUATION OF CERTAIN FOOD ADDITIVES
Author:
World Health Organization
Year:
1999
Bibliographic source:
World Health Organization
Reference Type:
secondary source
Title:
Toxicity Studies - Test chemical
Author:
RTECS
Year:
2011
Bibliographic source:
Registry of Toxic Effects of Chemical Substances
Reference Type:
secondary source
Title:
Acute Toxicity Studies on Test Chemical
Author:
U.S. Environmental Protection Agency
Year:
2017
Bibliographic source:
High Production Volume (HPV)
Reference Type:
secondary source
Title:
Hazard Characterization - Test chemical
Author:
U. S. Environmental Protection Agency (EPA)
Year:
2010
Bibliographic source:
U. S. Environmental Protection Agency (EPA)
Reference Type:
secondary source
Title:
Toxicity Summaries - Test chemical
Author:
US EPA
Year:
2002
Bibliographic source:
US EPA

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: As mentioned below
Principles of method if other than guideline:
Acute oral toxicity study of the given test chemical in rat.
GLP compliance:
not specified
Test type:
other: not specified
Limit test:
no

Test material

Constituent 1
Chemical structure
Reference substance name:
3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
EC Number:
204-846-3
EC Name:
3-methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
Cas Number:
127-51-5
Molecular formula:
C14H22O
IUPAC Name:
3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
Details on test material:
- IUPAC Name: (3E)-3-Methyl-4-(2,6,6-trimethyl-2-cyclohexen-1-yl)-3-buten-2-one
- Common Name: Alpha-isomethylionone
- InChI: 1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h7,9,13H,6,8H2,1-5H3/b11-9+
- Smiles: C1([C@@H](\C=C(\C(C)=O)C)C(=CCC1)C)(C)C
- Molecular formula : C14H22O
- Molecular weight : 206.327 g/mole
- Substance type:Organic
- Physical state:Liquid, slightly yellow color

Test animals

Species:
rat
Strain:
not specified
Sex:
not specified
Details on test animals or test system and environmental conditions:
not specified

Administration / exposure

Route of administration:
oral: gavage
Vehicle:
not specified
Details on oral exposure:
not specified
Doses:
5000 mg/kg
No. of animals per sex per dose:
Total = 10
Control animals:
not specified
Details on study design:
- Duration of observation period following administration: 14 days
- Other examinations performed: Observations for mortality and systemic effects were made over a 14-day period.
Statistics:
not specified

Results and discussion

Preliminary study:
not specified
Effect levels
Sex:
not specified
Dose descriptor:
LD50
Effect level:
> 5 000 mg/kg bw
Based on:
test mat.
Mortality:
No mortality was observed at 5000 mg/kg bw
Clinical signs:
not specified
Body weight:
not specified
Gross pathology:
not specified
Other findings:
not specified

Applicant's summary and conclusion

Interpretation of results:
other: Not classified
Conclusions:
The acute oral toxicity dose (LD50) value was considered to be >5000 mg/kg bw, when 10 rats were treated with the given test chemical via oral gavage route.
Executive summary:

Acute oral toxicity study was conducted by using test chemical in 10 rats at the dose concentration of 5000 mg/kg bw. Observations for mortality and systemic effects were made over a 14-day period.No mortality was observed at 5000 mg/kg bw.

Hence, the LD50 value was considered to be >5000 mg/kg bw, when 10 rats were treated with the given test chemical via oral gavage route.