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EC number: 941-637-2 | CAS number: 1384257-92-4
- 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
No test for acute oral toxicity is available for 4 -hydroxycyclohexanecarboxylic acid butyl ester. However, an oral LD50 value of 3962 mg/kg bw in the rat is available for a structurally similar compound. (Q)SAR analysis revealed that the target compound as well as the source compound will result in the same metabolite after absorption.
In addition 2 further structurally very similar compounds have been tested with LD50 values of more than 3000 mg/kg bw/day.
Therefore, based on this read-across, it can be concluded that the oral LD50 value of 4 -hydroxycyclohexanecarboxylic acid butyl ester is in the range of 3962 mg/kg bw.
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- 1980
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
[Please provide information for all of the points below. Indicate if further information is included as attachment to the same record, or elsewhere in the dataset (insert links in 'Cross-reference' table)]
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The read-across approach is justified because of common functional groups (cyclohexane ring system, carboxylic acid ester function). Moreover it can be assumed, that all substances result in the same metabolite.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
[Provide here, if relevant, additional information to that included in the Test material section of the source and target records]
Data on acute oral toxicity are available for: Ethyl cyclohexane carboxylate
3. ANALOGUE APPROACH JUSTIFICATION
see attached justification under section 13
4. DATA MATRIX
see attached justification under section 13 - Reason / purpose for cross-reference:
- read-across source
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 401 (Acute Oral Toxicity)
- Deviations:
- yes
- Remarks:
- no information on necropsy provided
- GLP compliance:
- not specified
- Test type:
- standard acute method
- Limit test:
- no
- Species:
- rat
- Strain:
- other: FDLR strain
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Source: Waverly, New York
- Age at study initiation: not specified
- Weight at study initiation: 40 to 60 g
- Fasting period before study: overnight
- Diet: ad libitum
- Water: ad libitum
- Route of administration:
- oral: gavage
- Vehicle:
- corn oil
- Details on oral exposure:
- not specified
- Doses:
- not specified
- No. of animals per sex per dose:
- 5 (five)
- Control animals:
- not specified
- Details on study design:
- - Duration of observation period following administration: 14 days
- Frequency of observations and weighing: daily for 14 days
- Necropsy of survivors performed: no
- Other examinations performed: clinical signs - Statistics:
- yes, but not specified
- Key result
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 3 962 mg/kg bw
- Based on:
- test mat.
- 95% CL:
- > 3 002 - < 5 230
- Mortality:
- yes
- Clinical signs:
- not provided
- Body weight:
- not provided
- Gross pathology:
- not performed
- Interpretation of results:
- other: not classified
- Conclusions:
- No acute oral toxicity test was performed with 4-hydroxycyclohexanecarboxylic acid butyl ester. However, a structurally close homologue was investigated for acute oral toxicity in the rat and a LD50 value of 3962 mg/kg bw was established.
The oral LD50 value of 4-hydroxycyclohexanecarboxylic acid butyl ester in the rat is considered to exceed the limit dose of 2000 mg/kg bw, based on experimental data with the very similar compound. - Executive summary:
No acute oral toxicity test was performed with 4-hydroxycyclohexanecarboxylic acid butyl ester. However, a structurally close homologue was investigated for acute oral toxicity in the rat and a LD50 value of 3962 mg/kg bw was established. The oral LD50 value of 4-hydroxycyclohexanecarboxylic acid butyl esterin the rat is considered to exceed the limit dose of 2000 mg/kg bw, based on experimental data with the very similar compound.
- Endpoint:
- acute toxicity: oral
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- 1980
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
[Please provide information for all of the points below. Indicate if further information is included as attachment to the same record, or elsewhere in the dataset (insert links in 'Cross-reference' table)]
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The read-across approach is justified because of common functional groups (cyclohexane ring system, carboxylic acid ester function). Moreover it can be assumed, that all substances result in the same metabolite.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
[Provide here, if relevant, additional information to that included in the Test material section of the source and target records]
Data on acute oral toxicity are available for: Ethyl cyclohexane carboxylate
3. ANALOGUE APPROACH JUSTIFICATION
see attached justification under section 13
4. DATA MATRIX
see attached justification under section 13 - Reason / purpose for cross-reference:
- read-across source
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 401 (Acute Oral Toxicity)
- Deviations:
- yes
- Remarks:
- no information on necropsy provided
- GLP compliance:
- not specified
- Test type:
- standard acute method
- Limit test:
- no
- Species:
- rat
- Strain:
- other: FDLR strain
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Source: Waverly, New York
- Age at study initiation: not specified
- Weight at study initiation: 40 to 60 g
- Fasting period before study: overnight
- Diet: ad libitum
- Water: ad libitum
- Route of administration:
- oral: gavage
- Vehicle:
- corn oil
- Details on oral exposure:
- not specified
- Doses:
- not specified
- No. of animals per sex per dose:
- 5 (five)
- Control animals:
- not specified
- Details on study design:
- - Duration of observation period following administration: 14 days
- Frequency of observations and weighing: daily for 14 days
- Necropsy of survivors performed: no
- Other examinations performed: clinical signs - Statistics:
- yes, but not specified
- Key result
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 3 881 mg/kg bw
- Based on:
- test mat.
- 95% CL:
- > 3 261 - < 4 618
- Mortality:
- yes
- Clinical signs:
- not provided
- Body weight:
- not provided
- Gross pathology:
- not performed
- Interpretation of results:
- other: not classified
- Conclusions:
- No acute oral toxicity test was performed with 4-hydroxycyclohexanecarboxylic acid butyl ester. However, a structurally close homologue was investigated for acute oral toxicity in the rat and a LD50 value of 3881 mg/kg bw was established.
The oral LD50 value of 4-hydroxycyclohexanecarboxylic acid butyl ester in the rat is considered to exceed the limit dose of 2000 mg/kg bw, based on experimental data with the very similar compound. - Executive summary:
No acute oral toxicity test was performed with 4-hydroxycyclohexanecarboxylic acid butyl ester. However, a structurally close homologue was investigated for acute oral toxicity in the rat and a LD50 value of 3881 mg/kg bw was established. The oral LD50 value of 4-hydroxycyclohexanecarboxylic acid butyl ester in the rat is considered to exceed the limit dose of 2000 mg/kg bw, based on experimental data with the very similar compound.
- Endpoint:
- acute toxicity: oral
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- 1980
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- study well documented, meets generally accepted scientific principles, acceptable for assessment
- Justification for type of information:
- REPORTING FORMAT FOR THE ANALOGUE APPROACH
[Please provide information for all of the points below. Indicate if further information is included as attachment to the same record, or elsewhere in the dataset (insert links in 'Cross-reference' table)]
1. HYPOTHESIS FOR THE ANALOGUE APPROACH
The read-across approach is justified because of common functional groups (cyclohexane ring system, carboxylic acid ester function). Moreover it can be assumed, that all substances result in the same metabolite.
2. SOURCE AND TARGET CHEMICAL(S) (INCLUDING INFORMATION ON PURITY AND IMPURITIES)
[Provide here, if relevant, additional information to that included in the Test material section of the source and target records]
Data on acute oral toxicity are available for: Ethyl cyclohexane carboxylate
3. ANALOGUE APPROACH JUSTIFICATION
see attached justification under section 13
4. DATA MATRIX
see attached justification under section 13 - Reason / purpose for cross-reference:
- read-across source
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 401 (Acute Oral Toxicity)
- Deviations:
- yes
- Remarks:
- no information on necropsy provided
- GLP compliance:
- not specified
- Test type:
- standard acute method
- Limit test:
- no
- Species:
- rat
- Strain:
- other: FDLR strain
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Source: Waverly, New York
- Age at study initiation: not specified
- Weight at study initiation: 40 to 60 g
- Fasting period before study: overnight
- Diet: ad libitum
- Water: ad libitum
- Route of administration:
- oral: gavage
- Vehicle:
- corn oil
- Details on oral exposure:
- not specified
- Doses:
- not specified
- No. of animals per sex per dose:
- 5 (five)
- Control animals:
- not specified
- Details on study design:
- - Duration of observation period following administration: 14 days
- Frequency of observations and weighing: daily for 14 days
- Necropsy of survivors performed: no
- Other examinations performed: clinical signs - Statistics:
- yes, but not specified
- Key result
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 3 265 mg/kg bw
- Based on:
- test mat.
- 95% CL:
- > 2 791 - < 3 820
- Mortality:
- yes
- Clinical signs:
- not provided
- Body weight:
- not provided
- Gross pathology:
- not performed
- Interpretation of results:
- other: not classified
- Conclusions:
- No acute oral toxicity test was performed with 4-hydroxycyclohexanecarboxylic acid butyl ester. However, a structurally close homologue was investigated for acute oral toxicity in the rat and a LD50 value of 3265 mg/kg bw was established.
The oral LD50 value of 4-hydroxycyclohexanecarboxylic acid butyl ester in the rat is considered to exceed the limit dose of 2000 mg/kg bw, based on experimental data with the very similar compound. - Executive summary:
No acute oral toxicity test was performed with 4-hydroxycyclohexanecarboxylic acid butyl ester. However, a structurally close homologue was investigated for acute oral toxicity in the rat and a LD50 value of 3265 mg/kg bw was established. The oral LD50 value of 4-hydroxycyclohexanecarboxylic acid butyl ester in the rat is considered to exceed the limit dose of 2000 mg/kg bw, based on experimental data with the very similar compound.
Referenceopen allclose all
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 3 962 mg/kg bw
- Quality of whole database:
- The study is sufficiently described and well documented. A justification for the analogue approach is provided.
Additional information
Justification for classification or non-classification
Based on a read-across approach, the substance must not be classified with regard to acute oral toxicity.
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.