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EC number: 214-049-2 | CAS number: 1074-95-9
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
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
- 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.
Reference
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
- 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.
Reference
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.
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