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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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 6924 mg/kg bw when rabbits were treated with 3-Methylbutyl propionate orally.

Acute dermal toxicity:

LD50 was considered to be > 4324.5 mg/kg bw when rabbits were treated with 3-Methylbutyl propionate.

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 from Secondary source
Qualifier:
according to guideline
Guideline:
other: as per mentioned below
Principles of method if other than guideline:
The acute oral LD50 value in rabbits for isoamyl propionate in rabbits
GLP compliance:
not specified
Test type:
other: No data
Limit test:
no
Specific details on test material used for the study:
Name of test material (as cited in study report): Isoamyl propionate
Molecular formula (if other than submission substance): C8H16O2
Molecular weight (if other than submission substance): 144.212 g/mole
Smiles notation (if other than submission substance): C(OCCC(C)C)(CC)=O
InChl (if other than submission substance):
1S/C8H16O2/c148(9)10657(2)3/h7H,46H2,13H3
Substance type: Organic
Physical state: Liquid
Species:
rat
Strain:
not specified
Sex:
male/female
Details on test animals or test system and environmental conditions:
TEST ANIMALS
Source: No data
Age at study initiation: No data
Weight at study initiation: 1.5 - 2.5kg
Weight at study initiation: No data
Fasting period before study: No data
Housing: No data
Diet (e.g. ad libitum): No data
Water (e.g. ad libitum): No data
Acclimation period: No data

ENVIRONMENTAL CONDITIONS
Temperature (°C): No data
Humidity (%):No data
Air changes (per hr): No data
Photoperiod (hrs dark / hrs light): No data

IN-LIFE DATES: From: To: No data
Route of administration:
oral: gavage
Vehicle:
physiological saline
Details on oral exposure:
No data available
Doses:
6924 mg/kg bw
No. of animals per sex per dose:
10-35 (per sex not mentioned)
Control animals:
not specified
Details on study design:
Duration of observation period following administration: : 24 hrs' observation
Statistics:
No data available
Preliminary study:
No data available
Sex:
not specified
Dose descriptor:
LD50
Effect level:
6 924 mg/kg bw
Based on:
test mat.
Remarks on result:
other: 50 % mortality observed
Mortality:
50 % mortality was observed at 6924 mg/kg bw
Clinical signs:
other: No data available
Gross pathology:
No data available
Other findings:
No data available

No data available

Interpretation of results:
other: not classified
Conclusions:
LD50 was considered to be 6924 mg/kg bw when rabbits were treated with 3-Methylbutyl propionate orally.
Executive summary:

In a acute oral toxicity study, rabbits were treated with 3-Methylbutyl propionate in the concentration of 6924 mg/kg bw orally by gavage in physiological saline and observed for 24 hours. 50 % mortality was observed at 6924 mg/kg bw. Therefore, LD50 was considered to be 6924 mg/kg bw when rabbits were treated with 3-Methylbutyl propionate orally.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LD50
Value:
6 924 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:
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 from peer- reviewed journal
Qualifier:
according to guideline
Guideline:
other: as per given below
Principles of method if other than guideline:
Acute dermal toxicity of isoamyl propionate in rabbits
GLP compliance:
not specified
Test type:
other: No data
Limit test:
no
Specific details on test material used for the study:
Name of test material (as cited in study report): Isoamyl propionate
Molecular formula (if other than submission substance): C8H16O2
Molecular weight (if other than submission substance): 144.212 g/mole
Smiles notation (if other than submission substance): C(OCCC(C)C)(CC)=O
InChl (if other than submission substance):
1S/C8H16O2/c148(9)10657(2)3/h7H,46H2,13H3
Substance type: Organic
Physical state: Liquid
Species:
rabbit
Strain:
not specified
Sex:
not specified
Details on test animals or test system and environmental conditions:
no data available
Type of coverage:
other: Dermal
Vehicle:
not specified
Details on dermal exposure:
no data available
Duration of exposure:
no data available
Doses:
4324.5 mg/kg bw
No. of animals per sex per dose:
no data available
Control animals:
not specified
Details on study design:
no data available
Statistics:
no data available
Sex:
not specified
Dose descriptor:
LD50
Effect level:
> 4 324.5 mg/kg bw
Based on:
test mat.
Remarks on result:
other: 50 % mortality observed
Mortality:
50 % mortality was observed at 4324.5 mg/kg bw
Clinical signs:
other: no data available
Gross pathology:
no data available
Other findings:
no data available
Interpretation of results:
other: not classified
Conclusions:
LD50 was considered to be > 4324.5 mg/kg bw when rabbits were treated with 3-Methylbutyl propionate.
Executive summary:

In acute dermal toxicity study, rabbits were treated with 3-Methylbutyl propionate in the concentration of 4324.5 mg/kg bw dermally. No mortality was observed in treated rabbits at 4324.5 mg/kg bw. Therefore, LD50 was considered to be > 4324.5 mg/kg bw when rabbits were treated with 3-Methylbutyl propionate.

Endpoint conclusion
Endpoint conclusion:
no adverse effect observed
Dose descriptor:
LD50
Value:
4 324.5 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-Methylbutyl propionate 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 and rabbits for 3-Methylbutyl propionate along with the study available on structurally similar read across substance phenethyl propionate (CAS no 122-70-3). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies.

In a experimental study given by U.S. National Library of Medicine (ChemIDplus A TOXNET DATABASE Lite Browse Advanced, 2017) and Flavor and Extract Manufacturer's Association (National Technical Information Service, VoL 1, PB86155926, 1985), rabbits were treated with 3-Methylbutyl propionate in the concentration of 6924 mg/kg bw orally by gavage in physiological saline and observed for 24 hours. 50 % mortality was observed at 6924 mg/kg bw. Therefore, LD50 was considered to be 6924 mg/kg bw when rabbits were treated with 3-Methylbutyl propionate orally.

In another experimental study conducted by Levensteinet al(Monographs on Fragrance Raw Materials, A Collection of Monographs Originally Appearing in Food and Cosmetics Toxicology, 1979, Pages 448–449), rat were treated with 3-Methylbutyl propionate in the concentration of 4324.5 mg/kg bw orally. No mortality was observed in treated rat at 4324.5 mg/kg bw. Therefore, LD50 was considered to be > 4324.5 mg/kg bw when rat were treated with 3-Methylbutyl propionate.

In a prediction done by SSS (2017) using the Danish QSAR, the acute oral toxicity was estimated for 3-Methylbutyl propionate. The LD50 was estimated to be 9600 mg/kg bw in rat and 4500 mg/kg bw in mice when treated with 3-Methylbutyl propionate orally.

This further supported by experimental study conducted by McGinty et al (Food and Chemical Toxicology 50 (2012) S430–S434) and Belsito et al (Food and Chemical Toxicology, 50 (2012) S269–S313) on structurally similar read across substance phenethyl propionate (CAS no 122-70-3), rat we4re treated with phenethyl propionate in the concentration of 2220, 3330, 5000 or 7500 mg/kg orally by gavage and observed for 14 days. The incidence of mortality was 0/10, 5/10, 6/10 and 10/10 from low to high dose. All deaths occurred by day two. Depression, slow respiration and negative righting reflex were observed in 3330, 5000 or 7500 mg/kg treated rats. Therefore, LD50 was considered to be 4000.0 mg/kg (2630 – 5370) when rat were treated with phenethyl propionate orally.

Thus, based on the above studies and predictions on 3-Methylbutyl propionate 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-Methylbutyl propionate can be considered to be not classified for acute oral toxicity.

 

Acute dermal toxicity:

In different studies, 3-Methylbutyl propionate 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 3-Methylbutyl propionate along with the study available on structurally similar read across substance phenethyl propionate (CAS no 122-70-3) and Phenethyl isovalerate (CAS no 140-26-1). The predicted data using the OECD QSAR toolbox has also been compared with the experimental studies.

In a experimental study conducted by Levensteinet al(Monographs on Fragrance Raw Materials, A Collection of Monographs Originally Appearing in Food and Cosmetics Toxicology, 1979, Pages 448–449), rabbits were treated with 3-Methylbutyl propionate in the concentration of 4324.5 mg/kg bw dermally. No mortality was observed in treated rabbits at 4324.5 mg/kg bw. Therefore, LD50 was considered to be > 4324.5 mg/kg bw when rabbits were treated with 3-Methylbutyl propionate.

In another experimental study conducted by McGinty et al (Food and Chemical Toxicology 50 (2012) S430–S434) and Belsito et al (Food and Chemical Toxicology, 50 (2012) S269–S313) on structurally similar read across substance phenethyl propionate (CAS no 122-70-3), rabbits were treated with phenethyl propionate in the contraction of 5000 mg/kg bw dermally. One rabbit were died on day four and no clinical signs of toxicity were observed in treated rabbits. Therefore, LD50 was considered to be > 5000 mg/kg bw when rabbits were treated with phenethyl propionate dermally.

This is further supported by experimental study conducted by Opdykeet al(Monographs on Fragrance Raw Materials, A Collection of Monographs Originally Appearing in Food and Cosmetics Toxicology, 1979, Pages 635) on structurally similar read across substance Phenethyl isovalerate (CAS no 140-26-1), rabbits were treated with Phenethyl isovalerate in the concentration of 5000 mg/kg bw. No mortality was observed in treated rabbits. Therefore, LD50 was considered to be > 5000 mg/kg bw when rabbit were treated with Phenethyl isovalerate dermally.

Thus, based on the above studies on 3-Methylbutyl propionate 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-Methylbutyl propionate can be considered to be not classified for acute dermal toxicity.

Justification for classification or non-classification

Based on the above studies and predictions on 3-Methylbutyl propionate 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-Methylbutyl propionate can be considered to be not classified for both acute oral and dermal toxicity.