Geranyl propionate

Endpoint summary

Description of key information

Acute oral toxicity: 

LD50 was considered to be >5000 mg/kg bw, when rats were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) orally.

Acute Dermal toxicity: 

LD50 was considered to be >5000 mg/kg bw, when rabbits were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) by dermal application.

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 metioned below

Principles of method if other than guideline:

Acute oral toxicity of 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) in rat.

GLP compliance:

not specified

Test type:

other: not specified

Limit test:

no

Specific details on test material used for the study:

- IUPAC Name: 3,7-dimethylocta-2,6-dien-1-yl propanoate
- Common Name: Geranyl propionate
- Mol. formula: C13H22O2
- Molecular Weight: 210.3148 g/mol
- Smiles: CCC(=O)OC\C=C(/C)\CCC=C(C)C
- InChI: 1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+

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 was observed

Mortality:

No mortality was observed in treated rat 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 rats were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) orally.

Executive summary:

Acute oral toxicity study was conducted by using 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) in rats at the concentration of 5000 mg/kg bw. No Mortality was observed at dose 5000 mg/kg bw. Therefore, LD50 was considered to be >5000 mg/kg bw, when rats were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) orally.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed

Dose descriptor:

LD50

Value:

5 000 mg/kg bw

Quality of whole database:

Data is Klimicsh 2

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 from Publication

Qualifier:

according to guideline

Guideline:

other: as metioned below

Principles of method if other than guideline:

Acute dermal toxicity of 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) in Rabbit.

GLP compliance:

not specified

Test type:

other: not specified

Limit test:

no

Specific details on test material used for the study:

- IUPAC Name: 3,7-dimethylocta-2,6-dien-1-yl propanoate
- Common Name: Geranyl propionate
- Mol. formula: C13H22O2
- Molecular Weight: 210.3148 g/mol
- Smiles: CCC(=O)OC\C=C(/C)\CCC=C(C)C
- InChI: 1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+

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 was observed

Mortality:

No mortality was observed in the 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 rabbits were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) by dermal application.

Executive summary:

Acute Dermal toxicity study was conducted by using 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) in rabbits at the concentration of 5000 mg/kg bw. No Mortality was observed at dose 5000 mg/kg bw. Therefore, LD50 was considered to be >5000 mg/kg bw, when rabbits were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) 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 Klimicsh 2

Additional information

Acute oral toxicity:

In different studies, 3,7-dimethylocta-2,6-dien-1-yl propanoate (CAS no: 105-90-8) 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 and mice for 3,7-dimethylocta-2,6-dien-1-yl propanoate along with the study available on structurally similar read across substance Geranyl butyrate (CAS no 106-29-6) and 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate (2345-26-8). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –

In the experimental study done by D. L. J. Opdyke (Food and Cosmetics Toxicology, Vol. 12, Pg. 897, 1974), the Acute oral toxicity study was conducted in rats at the concentration of 5000 mg/kg bw. No Mortality was observed at dose 5000 mg/kg bw. Therefore, LD50 was considered to be >5000 mg/kg bw, when rats were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) orally.

Further study as a 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 propanoate (105 -90 -8). The LD50 was estimated to be 2817 mg/kg bw, when 10 Sprague-Dawley male and female rats were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate by oral gavage route.

In another study based on the QSAR prediction done using the Danish (Q)SAR Database (2017), the acute oral toxicity was estimated for the 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8). The LD50 was estimated to be 6400 mg/kg bw with Reliability Index 0.89 (>0.75 = high prediction quality), when rats were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) orally.

This is supported with the study based on the QSAR prediction done using the Danish (Q)SAR Database (2017), the acute oral toxicity was estimated for the 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8). The LD50 was estimated to be 4000 mg/kg bw with Reliability Index 0.65 (0.5-0.75 = moderate prediction quality), when Mouse was treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) orally.

The above study supported by Jenner et al. (Fd Cosmet. Toxicol Vol. 2 pp. 327-343, 1964), for the structurally similar read across substance Geranyl butyrate (CAS no 106-29-6). In a acute oral toxicity study, 10 Osborne-Mendel male and female rats were treated wtih Geranyl butyrate orally by gavage and observed for 14 days. Animals were died after 4 days of dose administration. Marked signs of depression and coma observed on higher dose value. Based on the observation acute lethal dose were calculated as 10660 mg/kg bw with the 95% confidence limit of 8020-14,180 mg/kg. Therefore, LD50 was considered to be 10660 mg/kg bw (8020-14180 mg/kg) when Osborne-Mendel male and female rats were treated with Geranyl butyrate orally by gavage.

This is further supported by D. L. J. Opdyke (Food Cosmet. Toxicol, Vol. 13. pp. 449-457.1975), for the structurally similar read across substance 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate (2345-26-8). 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.

Thus, based on the above studies on 3,7-dimethylocta-2,6-dien-1-yl propanoate (CAS no: 105-90-8) and it’s read across substances, 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 propanoate can be classified as category V of acute oral toxicity.

Acute Dermal toxicity:

In different studies, 3,7-dimethylocta-2,6-dien-1-yl propanoate (CAS no: 105-90-8) 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 3,7-dimethylocta-2,6-dien-1-yl propanoate along with the study available on structurally similar read across substance Geranyl butyrate (CAS no 106-29-6) and 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate (2345-26-8). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies. The studies are summarized as below –

In the experimental study done by D. L. J. Opdyke (Food and Cosmetics Toxicology, Vol. 12, Pg. 897, 1974), the Acute Dermal toxicity study was conducted in rabbits at the concentration of 5000 mg/kg bw. No Mortality was observed at dose 5000 mg/kg bw. Therefore, LD50 was considered to be >5000 mg/kg bw, when rabbits were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate (105-90-8) by dermal application.

Further study as a 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 propanoate (105 -90 -8). The LD50 was estimated to be 2707 mg/kg bw, when New Zealand White rabbits were treated with 3,7-dimethylocta-2,6-dien-1-yl propanoate by dermal application.

This is further supported by D. L. J. Opdyke (Food Cosmet. Toxicol, Vol. 13. pp. 449-457.1975), for the structurally similar read across substance 3,7-dimethylocta-2,6-dien-1-yl 2-methylpropanoate (2345-26-8). 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.

The above study supported by D. L. J. Opdyke (Food and Cosmetics Toxicology, Volume 12, Issues 7–8, December 1974, Page 889), for thestructurally similar read across substance Geranyl butyrate (CAS no 106-29-6). In a acute dermal toxicity study, rabbits were treated with Geranyl butyrate dermally. 50% mortality was observed in treated rabbits. Therefore, LD50 was considered to be 5000 mg/kg bw when rabbits were treated with Geranyl butyrate dermally.

Thus, based on the above studies on 3,7-dimethylocta-2,6-dien-1-yl propanoate (CAS no: 105-90-8) and it’s read across substances, 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 propanoate can be classified as category V of acute dermal toxicity.

Justification for classification or non-classification

Based on the above studies and prediction on 3,7-dimethylocta-2,6-dien-1-yl propanoate (CAS no: 105-90-8) and its read across substances, 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 propanoate can be classified as category V of acute oral and dermal toxicity.