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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

Description of key information

Acute toxicity: oral

LD50 was considered to be 2432.88 mg/kg bw (2031.12 - 2923.92) when rats were treated with 2-isopropyl-5-methylcyclohexanone orally.

Acute toxicity: inhalation

The study need not be conducted because exposure of humans via inhalation is not likely taking into account the vapour pressure of the substance and/or the possibility of exposure to aerosols, particles or droplets of an inhalable size.

Acute toxicity: dermal

LD50 was considered to be > 5000 mg/kg bw when rabbits were treated with 2-isopropyl-5-methylcyclohexanone by dermal application. 

Key value for chemical safety assessment

Acute toxicity: via oral route

Link to relevant study records
Reference
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 peer-reviewed journal
Qualifier:
according to guideline
Guideline:
other: as below
Principles of method if other than guideline:
Acute oral toxicity study of 2-isopropyl-5-methylcyclohexanone in rats
GLP compliance:
not specified
Test type:
other: No data
Limit test:
no
Specific details on test material used for the study:
- Name of test material (as cited in study report): 2-isopropyl-5-methylcyclohexanone
- Molecular formula (if other than submission substance): C10H18O
- Molecular weight (if other than submission substance): 154.2512 g/mole
- Substance type: Organic
- Physical state: Liquid
Species:
rat
Strain:
not specified
Sex:
not specified
Details on test animals or test system and environmental conditions:
No data available
Route of administration:
oral: unspecified
Vehicle:
not specified
Details on oral exposure:
No data available
Doses:
2432.88 mg/kg bw
No. of animals per sex per dose:
No data available
Control animals:
not specified
Details on study design:
No data available
Statistics:
No data available
Preliminary study:
No data available
Sex:
not specified
Dose descriptor:
LD50
Effect level:
ca. 2 432.88 mg/kg bw
Based on:
test mat.
95% CL:
2 031.12 - 2 923.92
Remarks on result:
other: 50% mortality observed
Mortality:
50% mortality observed in treated rats at 2432.88 mg/kg bw
Clinical signs:
No data available
Body weight:
No data available
Gross pathology:
No data available
Other findings:
No data available
Interpretation of results:
GHS criteria not met
Conclusions:
LD50 was considered to be 2432.88 mg/kg bw (2031.12 - 2923.92) when rats were treated with 2-isopropyl-5-methylcyclohexanone orally.
Executive summary:

In a acute oral toxicity study, rats were treated with 2-isopropyl-5-methylcyclohexanone in the concentration of 2432.88 mg/kg bw orally. 50% mortality observed in treated rats at 2432.88 mg/kg bw. Therefore, LD50 was considered to be 2432.88 mg/kg bw (2031.12 - 2923.92) when rats were treated with 2-isopropyl-5-methylcyclohexanone orally.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LD50
Value:
2 432.88 mg/kg bw
Quality of whole database:
Data is Klimisch 2 and from peer reviewed journal

Acute toxicity: via inhalation route

Endpoint conclusion
Endpoint conclusion:
no study available

Acute toxicity: via dermal route

Link to relevant study records
Reference
Endpoint:
acute toxicity: dermal
Type of information:
experimental study
Adequacy of study:
weight of evidence
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 peer-reviewed journal
Qualifier:
according to guideline
Guideline:
other: No data
Principles of method if other than guideline:
Acute dermal toxicity study of 2-isopropyl-5-methylcyclohexanone in Rabbit
GLP compliance:
not specified
Test type:
other: No data
Limit test:
yes
Specific details on test material used for the study:
- Name of test material (as cited in study report): 2-isopropyl-5-methylcyclohexanone
- Molecular formula (if other than submission substance): C10H18O
- Molecular weight (if other than submission substance): 154.2512 g/mole
- Substance type: Organic
- Physical state: Solid
Species:
rabbit
Strain:
not specified
Sex:
not specified
Details on test animals or test system and environmental conditions:
No data available
Type of coverage:
not specified
Vehicle:
not specified
Details on dermal exposure:
No data available
Duration of exposure:
No data available
Doses:
No data available
No. of animals per sex per dose:
No data available
Control animals:
not specified
Details on study design:
No data available
Statistics:
No data available
Preliminary study:
No data available
Key result
Sex:
not specified
Dose descriptor:
LD50
Effect level:
> 5 000 mg/kg bw
Based on:
test mat.
Remarks on result:
other: No mortality observed
Mortality:
No mortality was observed in trreated rabbits at 5000 mg/kg bw
Clinical signs:
No data available
Body weight:
No data available
Gross pathology:
No data available
Other findings:
No data available
Interpretation of results:
GHS criteria not met
Conclusions:
LD50 was considered to be > 5000 mg/kg bw when rabbits were treated with 2-isopropyl-5-methylcyclohexanone by dermal application.
Executive summary:

In an acute dermal toxicity study, rabbits were treated with 2-isopropyl-5-methylcyclohexanone in the concentration of 5000 mg/kg bw orally. No mortality observed in treated rabbits at 5000 mg/kg bw. Therefore, LD50 was considered to be > 5000 mg/kg bw when rabbits were treated with 2-isopropyl-5-methylcyclohexanone by dermal application. 

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LD50
Value:
5 000 mg/kg bw
Quality of whole database:
Data is Klimisch 2 and from peer reviewed journal

Additional information

Acute oral toxicity:

In different studies, 2-isopropyl-5-methylcyclohexanone has been investigated for acute oral toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments data in rodents, i.e. most commonly in rats for 2-isopropyl-5-methylcyclohexanone. The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies.

In a study conducted by Opdykeet al(Food and Cosm. Toxicology Vol 14, 1976, Pp 475-476,1976), acute oral toxicity was evaluated in rats by using 2-isopropyl-5-methylcyclohexanone in the concentration of 2432.88 mg/kg bw orally. 50% mortality observed in treated rats at 2432.88 mg/kg bw. Therefore, LD50 was considered to be 2432.88 mg/kg bw (2031.12 - 2923.92) when rats were treated with 2-isopropyl-5-methylcyclohexanone orally.

In another prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, rats were treated with 2-isopropyl-5-methylcyclohexanone orally. The estimated LD50 was considered to be 2200 mg/kg bw when rat were treated with 2-isopropyl-5-methylcyclohexanone orally.

Also it is further supported by another prediction done by SSS (2017) using Danish QSAR, the acute oral toxicity in rats was predicted for 2-isopropyl-5-methylcyclohexanone. LD50 value was estimated to be 2067.4 mg/kg bw for rats for24 hours.

This is further supported by experimental datagiven by U.S. Department of Commerce (9180), rats were treated with 2-isopropyl-5-methylcyclohexanone at 2180 mg/kg bw orally. 50 % mortality observed at 2180 mg/kg bw. Therefore, LD50 was considered to be 2180 mg/kg bw when rat were treated with 2-isopropyl-5-methylcyclohexanone orally.

Thus, based on the above predictions and studies on 2-isopropyl-5-methylcyclohexanone, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 2-isopropyl-5-methylcyclohexanone can be “Not-classified” for acute oral toxicity.

Acute toxicity: inhalation

The study need not be conducted because exposure of humans via inhalation is not likely taking into account the vapour pressure of the substance and/or the possibility of exposure to aerosols, particles or droplets of an inhalable size.

Acute dermal toxicity:

Different studies for the target substance 2-isopropyl-5-methylcyclohexanone [(±)-menthone] and its read across substances were reviewed for acute dermal toxicity endpoint and the same are presented below as a weight of evidence approach:

In an acute dermal toxicity study, cited in Food and Cosmetic Technology Vol 14, pg 475-476 (1976), rabbits were treated with 2-isopropyl-5-methylcyclohexanone in the concentration of 5000 mg/kg bw orally. No mortality observed in treated rabbits at 5000 mg/kg bw. Therefore, LD50 was considered to be > 5000 mg/kg bw when rabbits were treated with 2-isopropyl-5-methylcyclohexanone by dermal application. 

Data from ChemIDplus database indicates the determination of acute dermal toxicity of the structurally similar substance 2-sec-Butyl cyclohexanone (CAS 14765-30-1) was carried out in rabbits. No mortality was observed till the last tested concentration. Hence, the acute dermal LD50 value of the substance2-sec-Butyl cyclohexanone is considered to be > 5000 mg/kg for rabbit skin.

Another study from the same database ChemIdplus states the results of acute dermal toxicity of the other read across substance 2-Cyclohexylcyclohexanone (CAS 90-42-6) in rats. No mortality was observed till the last tested concentration. Hence, the acute dermal LD50 value of the substance 2-sec-Butyl cyclohexanone is considered to be >7800 mg/kg for rat skin.

Based on the above results and by applying weight of evidence approach, it can be concluded that the LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 2-isopropyl-5-methylcyclohexanone can be considered as “Not-classified” for acute dermal toxicity.

Justification for classification or non-classification

Based on the above available data for target 2-isopropyl-5-methylcyclohexanone (CAS no 1074-95-9) is likely to non hazardous by oral route of exposure and considered to not toxic by oral and dermal route as per the criteria mentioned in CLP regulation.