3,7-dimethyl-1-octyl acetate

Endpoint summary

Description of key information

Acute oral toxicity: 

The acute oral toxicity dose (LD50) was considered based on different studies conducted on rats for the given test chemical. The LD50 value is >5000 mg/kg bw. The value concluded that the LD50 value is >2000 mg/kg bw, for acute oral toxicity. Thus, comparing this value with the criteria of CLP regulation, the given test chemical cannot be classified for acute oral toxicity.

Acute Inhalation Toxicity:

The acute inhalation toxicity study need not be conducted because exposure to humans via inhalation route is not likely taking into account due to low vapour pressure of the test chemical, which is reported to be 0.097 mmHg. Thus, exposure to inhalable dust, mist and vapour of the chemical is highly unlikely. Therefore this study is considered for waiver. 

 

Acute Dermal toxicity:

The acute dermal toxicity dose (LD50) was considered based on different studies conducted on rabbits for the given test chemical. The LD50 value is 5000 mg/kg bw. The study concluded that LD50 value is >2000 mg/kg bw, for acute dermal toxicity. Thus, comparing this value with the criteria of CLP regulation, the given test chemical cannot be classified for acute dermal toxicity.

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:

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 publication.

Qualifier:

according to guideline

Guideline:

other: as mentioned below

Principles of method if other than guideline:

The acute oral toxicity of the given test chemical was performed in rats

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 (as cited in study report): Dihydrocitronellyl acetate
IUPAC name: 3,7-dimethyl-1-octyl acetate
Molecular formula: C12H24O2
Molecular weight: 200.32 g/mol
Smiles notation: C([C@@H](CCOC(C)=O)C)CCC(C)C
InChl: 1S/C12H24O2/c110(2)65711(3)891412(v4)13/h1011H,59H2,14H3
Substance Type: Organic
Physical State: Liquid

Species:

rat

Strain:

not specified

Sex:

not specified

Details on test animals or test system and environmental conditions:

not specified

Route of administration:

oral: unspecified

Vehicle:

not specified

Details on oral 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 mortality was observed

Mortality:

No mortality was observed at 5000 mg/kg bw in treated animals.

Clinical signs:

other: not specified

Gross pathology:

not specified

Other findings:

not specified

Interpretation of results:

other: Not classified

Conclusions:

The acute oral LD50 value was considered to be > 5000 mg/Kg bw, when rats were treated with the given test chemical orally.

Executive summary:

The acute oral toxicity study was conducted by using the given test chemical on rats at the dose concentration of 5000 mg/kg bw given by oral route. Animals were observed for mortality. No mortality was observed at 5000 mg/kg bw in treated animals. Hence, the acute oral LD50 value was considered to be > 5000 mg/Kg bw, when rats were treated with the given test chemical orally.

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 publication.

Acute toxicity: via inhalation route

Link to relevant study records

Reference

Endpoint:

acute toxicity: inhalation

Data waiving:

study scientifically not necessary / other information available

Justification for data waiving:

the study does not need to 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

Endpoint conclusion

Quality of whole database:

Waiver

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 publication.

Qualifier:

according to guideline

Guideline:

other: as mentioned below

Principles of method if other than guideline:

The acute dermal toxicity study of the given test chemical was performed 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 (as cited in study report): 3,7-dimethyloctanyl acetate
- Molecular formula : C12H24O2
- Molecular weight : 200.32 g/mol
- 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:

approximate LD50

Effect level:

5 000 mg/kg bw

Based on:

test mat.

Remarks on result:

other: 50% mortality was observed

Mortality:

50% mortality was observed at 5000 mg/kg bw in treated animals.

Clinical signs:

other: not specified

Gross pathology:

not specified

Other findings:

not specified

Interpretation of results:

other: Not classified

Conclusions:

The acute dermal LD50 value was considered to be approximately 5000 mg/Kg bw, when rabbits were treated with the given test chemical by dermal application.

Executive summary:

The acute dermal toxicity study was conducted by using the given test chemical in rabbits at the dose concentration of 5000 mg/kg bw. Animals were observed for mortality. 50% mortality was observed at 5000 mg/kg bw in treated animals. Hence, the acute dermal LD50 value was considered to be approximately 5000 mg/Kg bw, when rabbits were treated with the given test chemical 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 publication.

Additional information

Acute oral toxicity:

In different studies, the given test chemical 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 the given test chemical. The studies are summarized as below –

 

The reported study was mentioned in publication and authoritative database and conducted to determine acute oral toxicity dose by using the given test chemical on rats at the dose concentration of 5000 mg/kg bw given by oral route. Animals were observed for mortality. No mortality was observed at 5000 mg/kg bw in treated animals. Hence, the acute oral LD50 value was considered to be > 5000 mg/Kg bw, when rats were treated with the given test chemical orally.

 

The above study is supported with another study mentioned in publication for the given test chemical. The acute oral toxicity study was conducted on rats at the dose concentration of 5000 mg/kg bw given by oral route. Animals were observed for mortality. No mortality was observed at 5000 mg/kg bw in treated animals. Hence, the acute oral LD50 value was considered to be > 5000 mg/Kg bw, when rats were treated with the given test chemical orally.

 

These studies are supported with the data mentioned in peer - reviewed journal for the given test chemical. The acute oral toxicity study was conducted in rats at the dose concentration of 3540-4960 mg/kg bw. Animals were observed for mortality. 50% mortality was observed at 4250 mg/kg bw in treated animals. Hence, the acute oral LD50 value was considered to be 4250 mg/kg with confidential limit of 3540 - 4960 mg/kg bw, when rat was treated with the given test chemical orally.

 

All the above studies are further supported with the data available in publication for the given test chemical. The acute oral toxicity study was conducted in rats at the dose concentration of 5000 mg/kg bw. Animals were observed for mortality. No mortality was observed at 5000 mg/kg bw in treated animals. Hence, the acute oral LD50 value was considered to be >5000 mg/kg bw, when rat was treated with the given test chemical orally.

 

Thus, based on the above summarised studies on test chemical, it can be concluded that LD50 value is >2000 mg/kg bw, for acute oral toxicity. Thus, comparing this value with the criteria of CLP regulation, the given test chemical cannot be classified for acute oral toxicity.

 

Acute Inhalation Toxicity:

The acute inhalation toxicity study need not be conducted because exposure to humans via inhalation route is not likely taking into account due to low vapour pressure of the test chemical, which is reported to be 0.097 mmHg. Thus, exposure to inhalable dust, mist and vapour of the chemical is highly unlikely. Therefore this study is considered for waiver. 

 

Acute Dermal Toxicity:

In different studies, the given test chemical has 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 rabbits for the given test chemical. The studies are summarized as below –

 

The reported study was mentioned in publication, handbook and authoritative database and conducted to determine acute dermal toxicity dose by using the given test chemical in rabbits at the dose concentration of 5000 mg/kg bw. Animals were observed for mortality. 50% mortality was observed at 5000 mg/kg bw in treated animals. Hence, the acute dermal LD50 value was considered to be approximately 5000 mg/Kg bw, when rabbits were treated with the given test chemical by dermal application.

 

The above study is supported with another study mentioned in publication and conducted to determine the acute dermal toxicity profile of the given test chemical in rabbits at the dose concentration of 5000 mg/kg bw. Animals were observed for mortality. No mortality was observed at 5000 mg/kg bw in treated animals. Hence, the acute dermal LD50 value was considered to be >5000 mg/Kg bw, when rabbits were treated with the given test chemical by dermal application.

 

These studies are supported with the data available in publication and the acute dermal toxicity study was conducted by using the given test chemical in rabbits at the dose concentration of 5000 mg/kg bw. Animals were observed for mortality. No mortality was observed at 5000 mg/kg bw in treated animals. Hence, the acute dermal LD50 value was considered to be >5000 mg/Kg bw, when rabbits were treated with the given test chemical by dermal application.

 

All the above studies are further supported with the data mentioned in publication for the given test chemical. The acute dermal toxicity study was conducted in rabbits at the dose concentration of 5000 mg/kg bw. Animals were observed for mortality. No mortality was observed at 5000 mg/kg bw in treated animals. Hence, the acute dermal LD50 value was considered to be >5000 mg/Kg bw, when rabbits were treated with the given test chemical by dermal application.

 

Thus, based on the above summarised studies on test chemical, it can be concluded that LD50 value is >2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, the given test chemical cannot be classified for acute dermal toxicity.

 

Justification for classification or non-classification

Based on the above studies on test chemical, it can be concluded that the LD50 value is >2000 mg/kg bw, for acute oral and acute dermal toxicity. Thus, comparing these values with the criteria of CLP regulation, the given test chemical cannot be classified for acute oral and acute dermal toxicity. For acute inhalation toxicity wavier was added so, not possible to classify.