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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Administrative data

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.