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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

Referenceopen allclose all

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.

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.