Registration Dossier

Administrative data

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:
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 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:
not specified
Body weight:
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:
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 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:
not specified
Body weight:
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.