Allyl butyrate

Endpoint summary

Description of key information

Acute oral toxicity:

LD50 was considered to be 250 mg/kg bw (216-290) when Osborne-Mendel male and female rat was treated with Allyl butyrate orally.

Acute dermal toxicity:

LD50 was considered to be 530 mg/kg bw when rabbits was treated with Allyl butyrate 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:

key study

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 peer-reviewed journal

Qualifier:

according to guideline

Guideline:

other: as below

Principles of method if other than guideline:

Acute oral toxicity study of Allyl butyrate in rat

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 (IUPAC name): 2-Propen-1-yl butanoate
- Common name: Allyl butyrate
- Molecular formula: C7H12O2
- Molecular weight: 128.17 g/mol
- Smiles notation: C(OCC=C)(CCC)=O
- InChl: 1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3
- Substance type: Organic
- Physical state: Liquid

Species:

rat

Strain:

Osborne-Mendel

Sex:

male/female

Details on test animals or test system and environmental conditions:

- Fasting period before study: approximately 18 hr prior to treatment.
- Diet (e.g. ad libitum): Food was replaced in cages as soon as animals received their respective doses.
- Water (e.g. ad libitum): Water, ad libitum

Route of administration:

oral: gavage

Vehicle:

not specified

Details on oral exposure:

not specified

Doses:

250 mg/kg bw

No. of animals per sex per dose:

5 male and 5 female

Control animals:

not specified

Details on study design:

- Duration of observation period following administration: 14 days
- Frequency of observations and weighing: close observation
- Necropsy of survivors performed: No data
- Other examinations performed: Mortality, clinical signs and body weight were observed.

Statistics:

LD50 were computed by the method of Litchfield & Wilcoxon (1949).

Preliminary study:

not specified

Sex:

male/female

Dose descriptor:

LD50

Effect level:

250 mg/kg bw

Based on:

test mat.

95% CL:

216 - 290

Remarks on result:

other: 50 % mortality observed

Mortality:

Deaths were observed between 4hr and 5 days in treated rat at 250 mg/kg bw

Clinical signs:

other: Depression, wet posterior and scrawny appearance for several days in treated rats.

Gross pathology:

not specified

Other findings:

not specified

Interpretation of results:

Category 3 based on GHS criteria

Conclusions:

LD50 was considered to be 250 mg/kg bw (216-290) when Osborne-Mendel male and female rat was treated with Allyl butyrate orally.

Executive summary:

In a acute oral toxicity study,Osborne-Mendel male and female rat were treated with Allyl butyrate in the concentration of 250 mg/kg bw.Deaths between 4hr and 5 days were observed in treated rat at 250 mg/kg bw and Depression, wet posterior and scrawny appearance for several days in treated rats. Therefore,LD50 was considered to be 250 mg/kg bw (216-290) whenOsborne-Mendel male and femalerat was treated withAllyl butyrateorally.

Endpoint conclusion

Endpoint conclusion:

adverse effect observed

Dose descriptor:

LD50

Value:

250 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 from peer-reviewed journal

Qualifier:

according to guideline

Guideline:

other: as below

Principles of method if other than guideline:

Acute dermal toxicity study of Allyl butyrate 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 (IUPAC name): 2-Propen-1-yl butanoate
- Common name: Allyl butyrate
- Molecular formula: C7H12O2
- Molecular weight: 128.17 g/mol
- Smiles notation: C(OCC=C)(CCC)=O
- InChl: 1S/C7H12O2/c1-3-5-7(8)9-6-4-2/h4H,2-3,5-6H2,1H3
- 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:

530 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:

530 mg/kg bw

Based on:

test mat.

95% CL:

350 - 840

Remarks on result:

other: 50 % mortality observed

Mortality:

50 % mortality was observed in treated rat at 530 mg/kg bw

Clinical signs:

other: not specified

Gross pathology:

not specified

Other findings:

not specified

Interpretation of results:

Category 3 based on GHS criteria

Conclusions:

LD50 was considered to be 530 mg/kg bw (350-840) when rabbits was treated with Allyl butyrate dermally.

Executive summary:

In a acute dermal toxicity study, rabbits were treated with Allyl butyrate in the concentration of 530 mg/kg bw.50 % mortality was observed in treated rabbits at 530 mg/kg bw. Therefore,LD50 was considered to be 530 mg/kg bw (350 -840) when rabbits was treated with Allyl butyrate dermally

Endpoint conclusion

Endpoint conclusion:

adverse effect observed

Dose descriptor:

LD50

Value:

530 mg/kg bw

Quality of whole database:

Data is klimisch 2 and from peer- reviewed journal

Additional information

Acute oral toxicity:

In different oral studies, Allyl butyrate has 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 Allyl butyrate along with the study available on structurally similar read across substance Allyl caproate (CAS no 123-68-2). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies.

In a experimental study conducted by Jenneret al(Food and Cosmetics Toxicology, Volume 2, 1964, Pages 327-343) and edited by Opdykeet al(Food and Cosmetics Toxicology, Volume 15, Issue 6, December 1977, Pages 613-614), Osborne-Mendel male and female rat were treated with Allyl butyrate in the concentration of 250 mg/kg bw. Deaths between 4hr and 5 days were observed in treated rat at 250 mg/kg bw and Depression, wet posterior and scrawny appearance for several days in treated rats. Therefore, LD50 was considered to be 250 mg/kg bw (216-290) when Osborne-Mendel male and female rat was treated with Allyl butyrate 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 Allyl butyrate. The LD50 was estimated to be 247 mg/kg bw when rats were orally exposed with Allyl butyrate.

 

Further suppoarted by experimental edited by Opdykeet al(Monographs on Fragrance Raw Materials, A Collection of Monographs Originally Appearing in Food and Cosmetics Toxicology, 1979, Pages 62 ) on structurally similar read across substance Allyl caproate (CAS no 123-68-2),rat and guinea pigs were treated with Allyl caproate in the concentration of 218 mg/kg bw and 280 mg/kg bw. 50 % mortality was observed in treated rats at 218 mg/kg bw and in guinea pigs at 280 mg/kg bw. Therefore, LD50 was considered to be 218 mg/kg bw for rat and 280 mg/kg bw for guinea pigs when treated with Allyl caproate orally.

 

Thus, based on the above studies and predictions on Allyl butyrate and its read across substances, it can be concluded that LD50 value is less than 300 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, Allyl butyrate can be classified as category III of acute oral toxicity.

Acute dermal toxicity:

In different dermal studies, Allyl butyrate has 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 Allyl butyrate along with the study available on structurally similar read across substance Allyl heptylate (CAS: 142-19-8). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies.

In a experimental study edited by Opdykeet al(Food and Cosmetics Toxicology, Volume 15, Issue 6, December 1977, Pages 613-614), rabbits were treated with Allyl butyrate in the concentration of 530 mg/kg bw.50 % mortality was observed in treated rat at 530 mg/kg bw. Therefore, LD50 was considered to be 530 mg/kg bw when rabbits was treated with Allyl butyrate 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 Allyl butyrate. The LD50 was estimated to be 881 mg/kg bw when rabbits were dermally exposed with Allyl butyrate.

 

In another experimental study edited by Opdykeet al(Monographs on Fragrance Raw Materials, A Collection of Monographs Originally Appearing in Food and Cosmetics Toxicology, 1979, Pages 67–6) on structurally similar read across substanceAllyl heptylate(CAs no 142-19-8),rabbits were treated withAllyl heptylatein the concentration of 810 mg/kg bw.50 % mortality was observed in treated rabbits at 810 mg/kg bw. Therefore,LD50 was considered to be 810 mg/kg bw (440-1180) when rabbits was treated withAllyl heptylatedermally.

Thus, based on the above studies and predictions on Allyl butyrate and its read across substances, it can be concluded that LD50 value is less than 1000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, Allyl butyrate can be classified as category III of acute dermal toxicity.

Justification for classification or non-classification

Based on the above studies and predictions on Allyl butyrate and its read across substances, it can be concluded that LD50 value is less than 300 mg/kg bw and 1000 mg/kg bw. Thus, comparing this value with the criteria of CLP regulation, Allyl butyrate can be classified as category III of acute oral and dermal toxicity.