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EC number: 203-322-1 | CAS number: 105-68-0
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Endpoint summary
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
- 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
- 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.
Reference
No data available
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
- 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.
Reference
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.
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