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EC number: 205-527-1 | CAS number: 142-19-8
- 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
Oral: LD50 = 238 mg/kg bw allyl heptanoate (value derived from read across compound allyl hexanoate LD50 = 218 mg/kg bw)
Dermal: LD50 = 810 mg/kg bw allyl heptanoate
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:
- other: Pre-GLP, pre-guideline study, which is to a great extent according to principles similar to those described in OECD TG 401
- Justification for type of information:
- refer to analogue justification provided in IUCLID section 13
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 401 (Acute Oral Toxicity)
- GLP compliance:
- no
- Test type:
- standard acute method
- Limit test:
- no
- Species:
- rat
- Strain:
- Osborne-Mendel
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Young, adult rats
- 180 to 350 g
- Animals were fasted 18 hours prior to oral exposure
ENVIRONMENTAL CONDITIONS
- No details on environmental conditions provided - Route of administration:
- oral: gavage
- Vehicle:
- unchanged (no vehicle)
- Details on oral exposure:
- No details reported
- Doses:
- Not reported
- No. of animals per sex per dose:
- Five males, five females per dose group
- Control animals:
- not specified
- Details on study design:
- - Duration of observation period following administration: 14 days
- Frequency of observations and weighing: not reported
- Necropsy of survivors performed: not reported - Statistics:
- LD50 values were computed by the method of Litchfield and Wilcoxon (1949)
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 218 mg/kg bw
- Based on:
- test mat.
- Mortality:
- Animals were found dead between 4 and 18 hours after single oral exposure
- Clinical signs:
- other: Depression, scrawny appearance
- Gross pathology:
- No data
- Interpretation of results:
- Toxicity Category III
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- The substance was acutely toxic to rats after a single oral exposure. Due to the observed LD50 of 218 mg/kg bw the substance is to be classified into Acute Toxicity Hazard Category 3 according to the CLP regulation (second amendment of March 2011).
- Executive summary:
The acute oral toxicity of the test substance allyl caproate (allyl hexanoate) was studied in a pre-GLP, pre-guideline study which to a great extent followed the standard acute method described in OECD TG 401. Groups of 10 rats of the Osborne-Mendel strain evenly distributed between the sexes received single oral doses of the test substance by oral gavage. The animals were then observed for signs of toxicity during a period of 14 days. Non-mortal clinical effects including depression and scrawny appearance were observed. In this study, mortality of exposed animals was observed between 4 and 18 hours after a single oral exposure. The LD50 value calculated by the method of Litchfield and Wilcoxon for allyl hexanoate was 218 mg/kg bw with a 95% confidence level ranging from 186 to 255 mg/kg bw.
The available data on acute oral toxicity meet the criteria for Acute Tox. Cat. 3 (H301) according to Regulation (EC) 1272/2008.
- Endpoint:
- acute toxicity: oral
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Justification for type of information:
- refer to analogue justification provided in IUCLID section 13
- Reason / purpose for cross-reference:
- read-across source
- Species:
- rat
- Strain:
- Osborne-Mendel
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS
- Young, adult rats
- 180 to 350 g
- Animals were fasted 18 hours prior to oral exposure
ENVIRONMENTAL CONDITIONS
- No details on environmental conditions provided - Route of administration:
- oral: gavage
- Vehicle:
- unchanged (no vehicle)
- Details on oral exposure:
- No details reported
- Doses:
- Not reported
- No. of animals per sex per dose:
- Five males, five females per dose group
- Control animals:
- not specified
- Details on study design:
- - Duration of observation period following administration: 14 days
- Frequency of observations and weighing: not reported
- Necropsy of survivors performed: not reported - Statistics:
- LD50 values were computed by the method of Litchfield and Wilcoxon (1949)
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 238 mg/kg bw
- Based on:
- other: allyl heptanoate
- Remarks on result:
- other: value derived from read-across substance allyl hexanoate (LD50 = 218 mg/kg bw)
- Mortality:
- Animals were found dead between 4 and 18 hours after single oral exposure
- Clinical signs:
- other: Depression, scrawny appearance
- Gross pathology:
- No data
- Interpretation of results:
- Toxicity Category III
- Remarks:
- Migrated information Criteria used for interpretation of results: EU
- Conclusions:
- The substance was acutely toxic to rats after a single oral exposure. Due to the observed LD50 of 218 mg/kg bw the substance is to be classified into Acute Toxicity Hazard Category 3 according to the CLP regulation (second amendment of March 2011).
- Executive summary:
The acute oral toxicity of the test substance allyl caproate (allyl hexanoate) was studied in a pre-GLP, pre-guideline study which to a great extent followed the standard acute method described in OECD TG 401. Groups of 10 rats of the Osborne-Mendel strain evenly distributed between the sexes received single oral doses of the test substance by oral gavage. The animals were then observed for signs of toxicity during a period of 14 days. Non-mortal clinical effects including depression and scrawny appearance were observed. In this study, mortality of exposed animals was observed between 4 and 18 hours after a single oral exposure. The LD50 value calculated by the method of Litchfield and Wilcoxon for allyl hexanoate was 218 mg/kg bw with a 95% confidence level ranging from 186 to 255 mg/kg bw. Based on the molecular weight the derived LD50 value for allyl heptanoate was 238 mg/kg bw.
The available data on acute oral toxicity meet the criteria for Acute Tox. Cat. 3 (H301) according to Regulation (EC) 1272/2008.
Referenceopen allclose all
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 238 mg/kg bw
- Quality of whole database:
- Two reliable studies with read across compound allyl hexanoate. In the key study pure compound was administered and in the supporting study the compound with vehicle polyethylene glycol was administered. In the supporting study with allyl heptanoate, the test item was administered in rats by the ratio 1:1 with corn oil vehicle.
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:
- other: Non-GLP, slightly deviating from guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 402 (Acute Dermal Toxicity)
- Deviations:
- yes
- Remarks:
- Groups of three animals (rabbits), except the high dose group of two animals, were exposed topically to one dermal dose of test substance.
- Principles of method if other than guideline:
- Groups of three animals, except the high dose group of two animals, were exposed topically to one dermal dose of test substance. Animals were observed during a period of 14 days.
- GLP compliance:
- no
- Test type:
- standard acute method
- Limit test:
- no
- Species:
- rabbit
- Strain:
- not specified
- Sex:
- not specified
- Type of coverage:
- not specified
- Vehicle:
- not specified
- Duration of exposure:
- 14 days
- Doses:
- 313 mg/kg, 625 mg/kg, 1250 mg/kg and the max dose : 5000 mg/kg
- No. of animals per sex per dose:
- 2 for the max dose and 3 for each dose
- Control animals:
- not specified
- Preliminary study:
- none
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- 810 mg/kg bw
- Mortality:
- 1250 mg/kg lethal (3/3 deaths)
5000 mg/kg lethal (2/2 deaths) - Clinical signs:
- other: at 5000 mg/kg : severe diarrhea in 2/2 at 1250 mg/kg : diarrhea in 1/3 and ataxia in 2/3
- Other findings:
- 0.313 g/kg no effects
0.625 g/kg nonspecific effects (0 deaths) - Interpretation of results:
- other: Toxicity Category III
- Executive summary:
The acute dermal toxicity of allyl heptanoate was assessed in an acute dermal toxicity study performed equivalent or similar to OECD Guideline 402. Groups consisting of 3 rabbits each, except the high dose group of 2 animals, were treated topically with a single dose of 313, 625, 1250 and 5000 mg/kg bw of the target substance. Animals were observed during a period of 14 days. No mortality occurred at 313 and 625 mg /kg bw. All animals died at 1250 and 5000 mg/kg bw. The calculated LD50 value was 810 mg/kg bw.
The available data on acute dermal toxicity meet the criteria for Acute Tox. Cat. 3 (H311) according to Regulation (EC) 1272/2008.
Reference
Route | Dose mg/Kg | Death/ nb. of Animals | Obseravation Day | |||||||||||||
1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 | 13 | 14 | |||
Dermal | 313 | 0/3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
625 | 0/3 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | |
1250 | 3/3 | 0 | 0 | 1 | 0 | 1 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | |
5000 | 2/2 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Endpoint conclusion
- Endpoint conclusion:
- adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 810 mg/kg bw
- Quality of whole database:
- Pre-GLP and pre-guideline study.
Additional information
- oral toxicity:
The read across substance allyl hexanoate is acutely toxic to rats with oral LD50 = 218 mg/kg bw. This value corresponds to an allyl heptanoate dose of 234 mg/kg bw (Jenner 1964). In supporting studies, LD50 oral (rat) = 500 mg/kg allyl heptanoate; 5 male and 5 female rats per dose (vehicle 50 % corn oil) and LD50 oral (guinea pig) = 444 mg/kg bw allyl heptanoate (vehicle 50 % corn oil) (Jenner 1964). Another supporting study (Meisel 1982) shows an oral LD50 = 276 mg/kg for allyl hexanoate in female rats. The value derived to allyl heptanoate is 301 mg/kg bw.
- dermal toxicity
In a short study (Opdyke 1974) in rabbit the LD50 = 810 mg/kg bw allyl heptanoate.
Justification for selection of acute toxicity – oral endpoint
The acute oral toxicity study in rat with read across compound allyl hexanoate has the lowest LD50 = 218 mg/kg. Derived LD50 for allyl heptanoate is 238 mg/kg.
Justification for selection of acute toxicity – dermal endpoint
Only one reliable acute dermal toxicity study is available.
Justification for classification or non-classification
- oral toxicity:
Based on the above stated assessment of the acute oral toxicity of allyl heptanoate, the oral LD50 values of 238 mg/kg bw lead to the classification of "R22 Harmful if swallowed" according to Council Directive 2001/59/EC (28th ATP of Directive 67/548/EEC) and of Category 3, "Danger - H301: Toxic if swallowed" according to CLP (Regulation (EC) No 1272/2008 of the European Parliament and of the Council) as implementation of UN-GHS in the EU.
- dermal toxicity:
Based on the above stated assessment on the acute dermal toxicity of allyl heptanoate, the dermal LD50 value of 810 mg/kg bw leads to the classification of "R21 Harmful in contact with skin" according to Council Directive 2001/59/EC (28th ATP of Directive 67/548/EEC) and of Category 3, "Danger - H311: Toxic in contact with skin" according to CLP (Regulation (EC) No 1272/2008 of the European Parliament and of the Council) as implementation of UN-GHS in the EU.
- inhalation toxicity:
No data available.
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