Geranyl isobutyrate

Endpoint summary

Description of key information

Acute oral toxicity

LD50 was considered to be > 5000 mg/kg bw when rat were treated with 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate orally.

Acute dermal toxicity

LD50 was considered to be > 5000 mg/kg bw when rabbit were treated with 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate dermally.

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 form per- reviewed journal

Qualifier:

according to guideline

Guideline:

other: as below

Principles of method if other than guideline:

Acute oral toxicity study of 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate in rat

GLP compliance:

not specified

Test type:

standard acute method

Limit test:

yes

Specific details on test material used for the study:

- Name of test material (as cited in study report): Geranyl isobutyrate (3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate)
- Molecular formula (if other than submission substance): C14H24O2
- Molecular weight (if other than submission substance): 224.342g/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:

not specified

Route of administration:

oral: unspecified

Vehicle:

not specified

Details on oral exposure:

not specified

Doses:

5000 mg/kg

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 observed

Mortality:

No mortality was observed in treated rat at 5000 mg/kg

Clinical signs:

other: not specified

Gross pathology:

not specified

Other findings:

not specified

Interpretation of results:

Category 5 based on GHS criteria

Conclusions:

LD50 was considered to be > 5000 mg/kg bw when rat were treated with 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate orally.

Executive summary:

In a acute oral toxicity study, rat were treated with 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate in the concentration of 5000 mg/kg bw orally. No mortality was observed in treated rat at 5000 mg/kg. Therefore, LD50 was considered to be > 5000 mg/kg bw when rat were treated with 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate 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 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

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 form per- reviewed journal

Qualifier:

according to guideline

Guideline:

other: No data

Principles of method if other than guideline:

Acute dermal toxicity study of 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate in rabbit

GLP compliance:

not specified

Test type:

standard acute method

Limit test:

yes

Specific details on test material used for the study:

- Name of test material (as cited in study report): Geranyl isobutyrate (3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate)
- Molecular formula (if other than submission substance): C14H24O2
- Molecular weight (if other than submission substance): 224.342g/mole
- 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 mortality observed

Mortality:

No 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:

Category 5 based on GHS criteria

Conclusions:

LD50 was considered to be > 5000 mg/kg bw when rabbit were treated with 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate dermally.

Executive summary:

In a acute dermal toxicity study, rabbits were treated with 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate in the concentration of 5000 mg/kg bw orally. No mortality was observed in treated rabbits at 5000 mg/kg. Therefore, LD50 was considered to be > 5000 mg/kg bw when rabbit were treated with 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate dermally.

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, 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoatehas been investigated for acute oral toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments and estimated data in rodents, i.e. most commonly in rats for 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate along with the study available on structurally similar read across substance Citronellyl isobutyrate (CAS no 99-89-2). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies.

In a experimental study summarized by Opdyke et al (Food Cosmet. Toxicol. Vol. 13. pp. 449-457. 1975), rat were treated with 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate in the concentration of 5000 mg/kg bw orally. No mortality was observed in treated rat at 5000 mg/kg. Therefore, LD50 was considered to be > 5000 mg/kg bw when rat were treated with 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate orally.

In another prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute oral toxicity was estimated for 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate. The LD50 was estimated to be 3215 mg/kg bw when rats were orally exposed with 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate.

In another prediction done by SSS (2017) using Danish QSAR (2017), In a acute oral toxicity estimation for 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate. 50 % mortality observed at 6400 mg/kg bw. Therefore, estimated LD50 was considered to be 6400 mg/kg bw when rat were treated with 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate orally.    

In a experimental study summarized by Denineet al(Food and Cosmetics Toxicology Volume 16, Supplement 1, 1978, Page 693) on structurally similar read across substance Citronellyl isobutyrate (CAS no 97-89-2), rat were treated with Citronellyl isobutyrate in the concentration of 5000 mg/kg bw orally. No mortality was observed in treated rat at 5000 mg/kg. Therefore, LD50 was considered to be > 5000 mg/kg bw when rat were treated with Citronellyl isobutyrate orally.

Thus, based on the above studies and predictions on 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoateand its read across substances and by applying weight of evidence, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoatecan be “Not classified” for acute oral toxicity.

 

Acute dermal toxicity

In different studies, 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoatehas been investigated for acute dermal toxicity to a greater or lesser extent. Often are the studies based on in vivo experiments and estimated data in rodents, i.e. most commonly in rabbits for 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate along with the study available on structurally similar read across substance Citronellyl isobutyrate (CAS no 99-89-2). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies.

In a experimental study summarized by Opdyke et al (Food Cosmet. Toxicol. Vol. 13. pp. 449-457. 1975), rabbits were treated with 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate in the concentration of 5000 mg/kg bw orally. No mortality was observed in treated rabbits at 5000 mg/kg. Therefore, LD50 was considered to be > 5000 mg/kg bw when rabbit were treated with 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate dermally.

In another prediction done by SSS (2017) using the OECD QSAR toolbox with log kow as the primary descriptor, the acute dermal toxicity was estimated for 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate. The LD50 was estimated to be 2877 mg/kg bw when rabbits were dermally exposed with 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate.

In a experimental study summarized by Denineet al(Food and Cosmetics Toxicology Volume 16, Supplement 1, 1978, Page 693) on structurally similar read across substance Citronellyl isobutyrate (CAS no 97-89-2), rat were treated with Citronellyl isobutyrate in the concentration of 5000 mg/kg bw orally. No mortality was observed in treated rat at 5000 mg/kg. Therefore, LD50 was considered to be > 5000 mg/kg bw when rat were treated with Citronellyl isobutyrate orally.

Thus, based on the above studies and predictions on 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoateand its read across substances and by applying weight of evidence, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate can be “Not classified” for acute dermal toxicity.

Justification for classification or non-classification

Based on the above studies and predictions on 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoateand its read across substances and by applying weight of evidence, it can be concluded that LD50 value is greater than 2000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate can be “Not classified” for acute dermal toxicity.