Registration Dossier
Registration Dossier
Data platform availability banner - registered substances factsheets
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 201-941-1 | CAS number: 89-80-5
- 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 oral toxicity:
Acute oral toxicity dose (LD50) of target chemical (2R, 5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5) was considered to be 1950 mg/kg bw; in the range between 1600-1950 mg/kg bw; 500 mg/kg bw; Further LD50 value was predicted based on OECD QSAR toolbox, the value estimated to be 1871 mg/kg bw; LD50 value was predicted based on Danish QSAR, the value estimated to be 1500 mg/kg bw; and different studies available for the structurally similar read across substances, the LD50 was considered to be 1200 mg/kg bw; and 470 mg/kg bw. All these studies concluded that the LD50 value is between 300-2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, (2R, 5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one can be classified as “Category 4” for acute oral toxicity.
Acute Inhalation Toxicity:
According to Annex IX of the REACH regulation, testing by the inhalation route is appropriate only if exposure of humans via inhalation is likely. Taking into account the low vapour pressure of the substance Menthone ; IUPAC name;(2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no 89-80-5) ,which is reported as 0.0002775228 mmHg at temperature 25 Deg C. Thus, exposure to inhalable dust, mist and vapour of the chemical 4-tert-butylcyclohexanol is highly unlikely. Therefore this study is considered for waiver.
Acute Dermal Toxicity:
In Acute dermal toxicity, LD50 value for target substance (2R, 5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5) was considered to be >5000 mg/kg bw,and for differentstudies available on structurally similar read across substance was considered to be >5000 mg/kg bw. All these studies concluded that the LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, (2R, 5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5) cannot be classified for acute dermal toxicity.
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:
- 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: as mentioned below
- Principles of method if other than guideline:
- Acute oral toxicity of (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5) in rats
- GLP compliance:
- not specified
- Test type:
- other: not specified
- Limit test:
- no
- Specific details on test material used for the study:
- - IUPAC Name: (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one- Common Name: Menthone- InChI: 1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3- Smiles:C1([C@@H](CC[C@@H](C1)C)C (C)C)=O- Molecular formula:C10H18O - Molecular weight :154.2512 g/mole- Substance type: Organic- Physical state: Liquid
- Species:
- rat
- Strain:
- not specified
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- not specified
- Route of administration:
- oral: gavage
- Vehicle:
- unchanged (no vehicle)
- Details on oral exposure:
- not specified
- Doses:
- Range of 1820-2620 mg/kg bw
- No. of animals per sex per dose:
- groups of 10 M and 10 F
- Control animals:
- not specified
- Details on study design:
- not specified
- Statistics:
- not specified
- Preliminary study:
- not specified
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 1 950 mg/kg bw
- Based on:
- test mat.
- 95% CL:
- 1 820 - 2 620
- Remarks on result:
- other: 50% mortality observed
- Mortality:
- 50% mortality observed at 1950 mg/kg bw.
- Clinical signs:
- other: not specified
- Gross pathology:
- not specified
- Other findings:
- not specified
- Interpretation of results:
- Category 4 based on GHS criteria
- Conclusions:
- LD50 was considered to be 1950 mg/kg bw, with 95% confidence limit of 1820-2620 mg/kg bw, when rats were treated with (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5) via oral gavage route.
- Executive summary:
The acute oral toxicity study was conducted by using (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5) in groups of 10 male and 10 female rats at the dose concentration range between 1820-2620 mg/kg bw.50% mortality observed at1950 mg/kg bw. Therefore, LD50 was considered to be 1950 mg/kg bw, with 95% confidence limit of 1820-2620 mg/kg bw, when rats were treated with (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5) via oral gavage route.
Reference
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 1 950 mg/kg bw
- Quality of whole database:
- Data is Klimisch 2 and from peer- reviewed journal.
Acute toxicity: via inhalation route
Link to relevant study records
- Endpoint:
- acute toxicity: inhalation
- Data waiving:
- other justification
- Justification for data waiving:
- other:
- Clinical signs:
- other:
Reference
Endpoint conclusion
- Quality of whole database:
- Waiver
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: as mentioned below
- Principles of method if other than guideline:
- Acute oral toxicity of Menthone in rabbits
- GLP compliance:
- not specified
- Test type:
- other: not specified
- Limit test:
- no
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one- Common name: Menthone - Molecular formula: C10H18O- Molecular weight: 154.2512 g/mol- Smiles notation: C1([C@@H](CC[C@@H](C1)C)C(C)C)=O- InChl: 1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3- Substance type: Organic- Physical state: Liquid
- Species:
- rabbit
- Strain:
- not specified
- Sex:
- not specified
- Details on test animals or test system and environmental conditions:
- not specified
- Type of coverage:
- other: Dermal
- Vehicle:
- not specified
- Details on dermal exposure:
- not specified
- Duration of exposure:
- not specified
- Doses:
- 5000 mg/kg bw
- No. of animals per sex per dose:
- not specified
- Control animals:
- not specified
- Details on study design:
- not specified
- Statistics:
- not specified
- Preliminary study:
- not specified
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- > 5 000 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: No 50 % mortality observed
- Mortality:
- No 50% mortality was observed in treated rabbits at 5000 mg/kg bw
- Clinical signs:
- other: not specified
- Gross pathology:
- not specified
- Other findings:
- not specified
- Interpretation of results:
- other: Not classified
- Conclusions:
- LD50 was considered to be >5000 mg/kg bw, when rabbits were treated with (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5) by dermal application.
- Executive summary:
The acute dermal toxicity study was conducted by using (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5) in rabbits atthe concentration of 5000 mg/kg bw. No mortality was observed in treated rabbits at 5000 mg/kg bw.Therefore, LD50 was considered to be >5000 mg/kg bw, when rabbits were treated with (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5) 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, (2R, 5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5) has been investigated for acute oral toxicity to a greater or lesser extent. Often are the studies based on in-vivo experiments in rodents, i.e. most commonly in rats for (2R, 5S)-5-methyl-2-(propan-2-yl) cyclohexan-1-one along with the study available on structurally similar read across substances . The studies are summarized as below –
The experimental study mentioned in peer-reviewed journal (1976) and secondary source(1985) for the target chemical(2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5)was designed and conducted for acute oral toxicity.The acute oral toxicity study was conducted in groups of 10 male and 10 female rats at the dose concentration range between 1820-2620 mg/kg bw.50% mortality observed at 1950 mg/kg bw. Therefore, LD50 was considered to be 1950 mg/kg bw, with 95% confidence limit of 1820-2620 mg/kg bw, when rats were treated with (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5) via oral gavage route.
The above study is supported by another experimental study mentioned in peer-reviewed journal (1996) for the target chemical(2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5)was designed and conducted for acute oral toxicity.The acute oral toxicity study was conducted by using (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5) in rats at the dose concentration range between 1600-1950 mg/kg bw.50% mortality observed between 1600-1950 mg/kg bw. Therefore, LD50 was considered in range between 1600-1950 mg/kg bw, when rats were treated with (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5) via oral route.
These studies are also supported by experimental study mentioned in handbook (2012);authoritative database (2017) for the target chemical (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5) in rats at the dose concentration of 500 mg/kg bw. 50% mortality observed at500 mg/kg bw. Therefore, LD50 was considered to be 500 mg/kg bw, when rats were treated with (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5) via oral route.
This study is further supported by QSAR prediction done using the Danish (Q)SAR Database, the acute oral toxicity was estimated for (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5). The LD50 was estimated to be 1500 mg/kg bw with Reliability Index 0.56 (0.5-0.75 = moderate prediction quality), when rats were treated with (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5) via oral route.
The above experimental and prediction studies are further supported by different studies available for the structurally similar read across substances as follows –
The study is supported by experimental study mentioned in peer-reviewed journal (1996) for the structurally similar read across substance .The acute oral toxicity study was conducted in rats at the dose concentration of 1200 mg/kg bw.50% mortality observed at 1200 mg/kg bw. Therefore, LD50 was considered to be 1200 mg/kg bw, when rats were treated with test chemical via oral route.
These studies are further supported by by experimental study mentioned in peer-reviewed journal (1996) for the structurally similar read across substance. The acute oral toxicity study was conducted in rats at the dose concentration of 470 mg/kg bw.50% mortality observed at 470 mg/kg bw. Therefore, LD50 was considered to be 470 mg/kg bw, when rats were treated with test chemical via oral route.
Thus, based on the above studies on (2R, 5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5) and it’s read across substances, it can be concluded that LD50 value is between 300-2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, (2R, 5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one can be classified as “Category 4” for acute oral toxicity.
Acute Inhalation Toxicity:
According to Annex IX of the REACH regulation, testing by the inhalation route is appropriate only if exposure of humans via inhalation is likely. Taking into account the low vapour pressure of the substance Menthone ; IUPAC name;(2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no 89-80-5) ,which is reported as 0.0002775228 mmHg at temperature 25 Deg C. Thus, exposure to inhalable dust, mist and vapour of the chemical 4-tert-butylcyclohexanol is highly unlikely. Therefore this study is considered for waiver.
Acute Dermal Toxicity:
In different experimental studies(2R, 5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5)have been investigated for acute dermal toxicity to a greater or lesser extent. Often are the studies based on in-vivo experiments in rodents, i.e. most commonly in rats and rabbits for(2R, 5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5)along with the study available on structurally similar read across substance. The studies are summarized as below –
The experimental study mentioned in peer-reviewed journal (1976) and authoritative database (2017) for the target chemical(2R, 5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5)was designed and conducted for acute dermal toxicity.The acute dermal toxicity study was conducted by using (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5) in rabbits atthe concentration of 5000 mg/kg bw. No mortality was observed in treated rabbits at 5000 mg/kg bw.Therefore, LD50 was considered to be >5000 mg/kg bw, when rabbits were treated with (2R,5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5) by dermal application.
The above study is supported by another experimental study mentioned in authoritative database (2017) and peer-reviewed journal (1974) for thestructurally similar read across substancewas designed and conducted for acute dermal toxicity.The acute dermal toxicity study was conducted by using test chemical in rabbits atthe concentration of5000 mg/kg bw. No mortality was observed in treated rabbits at 5000 mg/kg bw.Therefore, LD50 was considered to be >5000 mg/kg bw, when rabbits were treated with test chemical by dermal application.
Both these experimental studies are again supported with the structurally similar read across substance.The acute dermal toxicity study was conducted by using test chemical in rabbits at the concentration of 5000 mg/kg bw. No mortality was observed in treated rabbits at 5000 mg/kg bw.Therefore, LD50 was considered to be >5000 mg/kg bw, when rabbits were treated with test chemical by dermal application.
Thus, based on the above summarised studies on(2R, 5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5)and it’s structurally similar read across substance, it can be concluded that LD50 value is >2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation,(2R, 5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5)cannot be classified for acute dermal toxicity.
Justification for classification or non-classification
Based on the above studies and prediction on (2R, 5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one (CAS no.: 89-80-5) and it’s read across substances, it can be concluded that LD50 value is between 300-2000 mg/kg bw for acute oral toxicity; LD50 value is >2000 mg/kg bw for acute dermal toxicity. Thus, comparing these values with the criteria of CLP regulation, (2R, 5S)-5-methyl-2-(propan-2-yl)cyclohexan-1-one can be classified as “Category 4”for acute oral toxicity and cannot be classified for acute dermal toxicity. For Acute inhalation toxicity wavier was added so, not possible to classify.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.