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EC number: 203-385-5 | CAS number: 106-32-1
- 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
The substance is not acute oral or acute dermal toxic.
Key value for chemical safety assessment
Acute toxicity: via oral route
Link to relevant study records
- Endpoint:
- acute toxicity: oral
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- Read-across from ethyl heptanoate to ethyl octanoate is considered justified based on strong similarities with regard to chemical structure and metabolic pathways. A full read-across justification including comparison of toxicological profiles is included in section 13 of the IUCLID dossier.
- Reason / purpose for cross-reference:
- read-across source
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- > 37 711 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: Corrected for molecular weight.
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Read-across was done from ethyl heptanoate. Based on the result, and on the structural, chemical and toxicological similarities between ethyl heptanoate and ethyl octanoate, the LD50 for ethyl octanoate was calculated to be 37711 mg/kg bw.
- Executive summary:
Read-across was done from ethyl heptanoate. The acute oral toxicity effects of ethyl heptanoate were assessed in rats. No specific guideline was followed. GLP was not indicated. LD50, the slope function, and their confidence limits, together with toxic signs and times of death were recorded.
The highest dose administered was 34640 mg/kg bw. The confidence limits were not determined.
No animals died, therefore the acute oral LD50 of ethyl heptanoate was calculated to be 34.64 g/kg.
Toxic signs were depression, coma and a rough and wet fur.
Based on the result, and on the structural, chemical and toxicological similarities between ethyl heptanoate and ethyl octanoate, the LD50 for ethyl octanoate was calculated to be 37711 mg/kg bw.
As the LD50 > 2,000 mg/kg bw, the test item is not to be classified as acute toxic according to the CLP regulation.
- Endpoint:
- acute toxicity: oral
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- Read-across from ethyl nonanoate to ethyl octanoate is considered justified based on strong similarities with regard to chemical structure and metabolic pathways. A full read-across justification including comparison of toxicological profiles is included in section 13 of the IUCLID dossier.
- Reason / purpose for cross-reference:
- read-across source
- Key result
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 39 762 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: Corrected for molecular weight
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Read-across was done from ethyl nonanoate. Based on the result, and on the structural, chemical and toxicological similarities between ethyl nonanoate and ethyl octanoate, the LD50 for ethyl octanoate is 39762 mg/kg.
- Executive summary:
Read-across was done from ethyl nonanoate. The acute oral toxicity effects of ethyl hexanoate were assessed in rats. No specific guideline was followed. LD50, the slope function, and their confidence limits, together with toxic signs and times of death were recorded.
The highest dose administered was 43,000 mg/kg bw. The confidence limits were not determined.
No animals died, therefore the acute oral LD50 for ethyl nonanoate was 43 g/kg.
Toxic signs were depression and irritated gastro-intestinal tract. However, the animals appeared normal 24 hours after treatment.
Based on the result, and on the structural, chemical and toxicological similarities between ethyl nonanoate and ethyl octanoate, the LD50 for ethyl octanoate is 39762 mg/kg.
As the LD50 > 2,000 mg/kg bw, the test item is not to be classified as acute toxic according to the CLP regulation.
- Endpoint:
- acute toxicity: oral
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- Read-across from ethyl nonanoate to ethyl octanoate is considered justified based on strong similarities with regard to chemical structure and metabolic pathways. A full read-across justification including comparison of toxicological profiles is included in section 13 of the IUCLID dossier.
- Reason / purpose for cross-reference:
- read-across source
- Key result
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- 22 369 mg/kg bw
- Based on:
- test mat.
- 95% CL:
- >= 17 893 - <= 27 963
- Mortality:
- No animals died.
- Clinical signs:
- other: Depression and irritated gastro-intestinal tract. The animals appeared normal 24 hours after treatment.
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Read-across was done from ethyl nonanoate. Based on the result, and on the structural, chemical and toxicological similarities between ethyl nonanoate and ethyl octanoate, the LD50 for ethyl octanoate is 22369 mg/kg.
- Executive summary:
Read-across was done from ethyl nonanoate. The acute oral toxicity effects of ethyl nonanoate were assessed in guinea pigs. No specific guideline was followed, GLP was not indicated. LD50, the slope function, and their confidence limits, together with toxic signs and times of death were recorded.
The acute oral LD50 for ethyl nonanoate was calculated to be 24.19 g/kg, with 95% confidence limits: 19.35 - 30.24 g/kg.
The slope function was 1.5 (1.2 -2.0).
Toxic signs were depression and irritation of the gastro-intestinal tract.
Based on the result, and on the structural, chemical and toxicological similarities between ethyl nonanoate and ethyl octanoate, the LD50 for ethyl octanoate is 22369 mg/kg.
As the LD50 > 2,000 mg/kg bw, the test item is not to be classified as acute toxic according to the CLP regulation.
- Endpoint:
- acute toxicity: oral
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- Read-across from ethyl hexanoate to ethyl octanoate is considered justified based on strong similarities with regard to chemical structure and metabolic pathways. A full read-across justification including comparison of toxicological profiles is included in section 13 of the IUCLID dossier.
- Reason / purpose for cross-reference:
- read-across source
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- > 5 973 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: Corrected for molecular weight
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Read-across was done from ethyl hexanoate. Based on the result, and on the structural, chemical and toxicological similarities between ethyl hexanoate and ethyl octanoate, the LD50 for ethyl octanoate is greater than 5973 mg/kg.
- Executive summary:
Read-across was done from ethyl hexanoate. The acute oral toxicity effects of ethyl hexanoate were assessed in rats. No specific guideline was followed, GLP was not indicated. The animals were observed for 14 days and toxic signs and deaths were recorded.
Ten rats were administered 5 g/kg of ethyl hexanoate. Only 1 animal died during the study and therefore the oral LD50 of ethyl hexanoate in rats was reported to be greater than 5000 mg/kg.
Based on the result, and on the structural, chemical and toxicological similarities between ethyl hexanoate and ethyl octanoate, the LD50 for ethyl octanoate is greater than 5973 mg/kg.
As the LD50 > 2,000 mg/kg bw, the test item is not to be classified as acute toxic according to the CLP regulation.
Referenceopen allclose all
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 5 973 mg/kg bw
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:
- weight of evidence
- Reliability:
- 4 (not assignable)
- Rationale for reliability incl. deficiencies:
- documentation insufficient for assessment
- Principles of method if other than guideline:
- 10 rabbits were dermally administered a single dose of the test material and observed during 14 days.
- GLP compliance:
- not specified
- Limit test:
- yes
- Species:
- rabbit
- Strain:
- not specified
- Sex:
- not specified
- Details on test animals or test system and environmental conditions:
- No details were provided.
- Type of coverage:
- not specified
- Vehicle:
- not specified
- Details on dermal exposure:
- No details were provided.
- Duration of exposure:
- No details were provided.
- Doses:
- 5 g/kg
- No. of animals per sex per dose:
- 10 animals in total
- Control animals:
- not specified
- Details on study design:
- No details were provided.
- Dose descriptor:
- LD50
- Effect level:
- > 5 000 mg/kg bw
- Based on:
- test mat.
- Mortality:
- No animals died during the study.
- Clinical signs:
- other: No clinical signs were observed aside from skin irritation such as redness and edema. Skin irritation: - Slight redness in 2/10; moderate redness in 4/10 - Slight edema in 1/10; moderate edema in 3/10
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- The acute dermal LD50 of the test item was > 5 g/kg.
- Executive summary:
In the current study a group of 10 rabbits were dermally administered a single dose of 5 g/kg. No OECD guideline was followed and the study was not GLP. The animals were observed for mortality and clinical signs during 14 days.
The acute dermal LD50 of the test item in rabbits was reported to be > 5000 mg/kg, based on 0/10 deaths at that dose.
According to the CLP legislation a substance is considered acute toxic via the dermal route when the acute toxicity estimate is =< 2000 mg/kg bodyweight. As the LD50 of the test item > 2000 mg/kg bw, the substance is not to be classified as acute toxic via the dermal route.
- Endpoint:
- acute toxicity: dermal
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- Read-across from ethyl heptanoate to ethyl octanoate is considered justified based on strong similarities with regard to chemical structure and metabolic pathways. A full read-across justification including comparison of toxicological profiles is included in section 13 of the IUCLID dossier.
- Reason / purpose for cross-reference:
- read-across source
- Type of coverage:
- not specified
- Vehicle:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- > 5 443 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: Corrected for molecular weight
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Read-across was done from ethyl heptanoate. Based on the result, and on the structural, chemical and toxicological similarities between ethyl heptanoate and ethyl octanoate, the LD50 for ethyl octanoate is > 5443 mg/kg.
- Executive summary:
Read-across was done from ethyl heptanoate. In the current study 2 rabbits were used to assess the acute dermal toxicity of ethyl heptanoate. The animals received a single dermal application and were observed for mortality and/or systemic effects for 14 days. No OECD guideline was followed and the study was not GLP.
The acute dermal LD50 of ethyl heptanoate in rabbits was reported to be > 5000 mg/kg, based on 0/2 deaths at that dose.
Some irritant effects were noted and the erythema lasted for 24 hours.
Based on the result, and on the structural, chemical and toxicological similarities between ethyl heptanoate and ethyl octanoate, the LD50 for ethyl octanoate is > 5443 mg/kg.
According to the CLP legislation a substance is considered acute toxic via the dermal route when the acute toxicity estimate is =< 2000 mg/kg bodyweight. As the LD50 of the test item > 2000 mg/kg bw, the substance is not to be classified as acute toxic via the dermal route.
- Endpoint:
- acute toxicity: dermal
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- Read-across from ethyl hexanoate to ethyl octanoate is considered justified based on strong similarities with regard to chemical structure and metabolic pathways. A full read-across justification including comparison of toxicological profiles is included in section 13 of the IUCLID dossier.
- Reason / purpose for cross-reference:
- read-across source
- Type of coverage:
- not specified
- Vehicle:
- not specified
- Sex:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- > 5 973 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: corrected for molecular weight
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Read-across was done from ethyl hexanoate. Based on the result, and on the structural, chemical and toxicological similarities between ethyl hexanoate and ethyl octanoate, the LD50 for ethyl octanoate is > 5973 mg/kg.
- Executive summary:
Read-across was done from ethyl hexanoate. In the current study a group 10 rabbits were dermally administered a single dose of 5 g/kg of ethyl hexanoate. No OECD guideline was followed and the study was not GLP. The animals were observed for mortality and clinical signs during 14 days.
The acute dermal LD50 of ethyl hexanoate in rabbits was reported to be > 5000 mg/kg, based on 0/10 deaths at that dose.
Based on the result, and on the structural, chemical and toxicological similarities between ethyl hexanoate and ethyl octanoate, the LD50 for ethyl octanoate is > 5973 mg/kg.
According to the CLP legislation a substance is considered acute toxic via the dermal route when the acute toxicity estimate
is =< 2000 mg/kg bodyweight. As the LD50 of the test item > 2000 mg/kg bw, the substance is not to be classified as acute toxic via the dermal route.
- Endpoint:
- acute toxicity: dermal
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- Read-across from ethyl nonanoate to ethyl octanoate is considered justified based on strong similarities with regard to chemical structure and metabolic pathways. A full read-across justification including comparison of toxicological profiles is included in section 13 of the IUCLID dossier.
- Reason / purpose for cross-reference:
- read-across source
- Type of coverage:
- not specified
- Vehicle:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- > 4 624 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: Corrected for molecular weight
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Read-across was done from ethyl nonanoate. Based on the result, and on the structural, chemical and toxicological similarities between ethyl nonanoate and ethyl octanoate, the LD50 for ethyl octanoate is > 4624 mg/kg.
- Executive summary:
Read-across was done from ethyl nonanoate. In the current study a group 10 rabbits were dermally administered a single dose of 5 g/kg of ethyl nonanoate. No OECD guideline was followed and the study was not GLP. The animals were observed for mortality and clinical signs during 14 days.
The acute dermal LD50 of ethyl nonanoate in rabbits was reported to be > 5000 mg/kg, based on 0/10 deaths at that dose.
Based on the result, and on the structural, chemical and toxicological similarities between ethyl nonanoate and ethyl octanoate, the LD50 for ethyl octanoate is > 4624 mg/kg.
According to the CLP legislation a substance is considered acute toxic via the dermal route when the acute toxicity estimate
is =< 2000 mg/kg bodyweight. As the LD50 of the test item > 2000 mg/kg bw, the substance is not to be classified as acute toxic via the dermal route.
- Endpoint:
- acute toxicity: dermal
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- weight of evidence
- Justification for type of information:
- Read-across from ethyl heptanoate to ethyl octanoate is considered justified based on strong similarities with regard to chemical structure and metabolic pathways. A full read-across justification including comparison of toxicological profiles is included in section 13 of the IUCLID dossier.
- Reason / purpose for cross-reference:
- read-across source
- Type of coverage:
- not specified
- Vehicle:
- not specified
- Dose descriptor:
- LD50
- Effect level:
- > 5 443 mg/kg bw
- Based on:
- test mat.
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- Read-across was done from ethyl heptanoate. Based on the result, and on the structural, chemical and toxicological similarities between ethyl heptanoate and ethyl octanoate, the LD50 for ethyl octanoate is > 5443 mg/kg.
- Executive summary:
Read-across was done from ethyl heptanoate. In the current study a group of 10 rabbits were dermally administered a single dose of ethyl heptanoate. No OECD guideline was followed and the study was not GLP.
After the treatment the animals were observed for mortality and clinical signs during 14 days. Furthermore, necrospy was conducted.
The acute dermal LD50 of ethyl heptanoate in rabbits was reported to be > 5000 mg/kg, based on 0/10 deaths at that dose.
Based on the result, and on the structural, chemical and toxicological similarities between ethyl heptanoate and ethyl octanoate, the LD50 for ethyl octanoate is > 5443 mg/kg.
According to the CLP legislation a substance is considered acute toxic via the dermal route when the acute toxicity estimate
is =< 2000 mg/kg bodyweight. As the LD50 of the test item > 2000 mg/kg bw, the substance is not to be classified as acute toxic via the dermal route.
Referenceopen allclose all
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 5 000 mg/kg bw
Additional information
For acute oral toxicity there are 2 studies relevant for assessing the acute toxicity of ethyl octanoate, namely the study of 1964 and the one of 1975. The first holds data on ethyl heptanoate and ethyl nonanoate while the second holds data on ethyl hexanoate. In the first study it is indicated that there is also data on ethyl octanoate, however, in the study ethyl pentanoate is mentioned in between brackets next to ethyl caprylate. This makes it doubful whether ethyl caprylate (= octanoate) or ethyl valerate (= pentanoate) was actually tested and therefore, this result was appointed a K3 score.
The obtained results indicate that the oral LD50 in rats of all aliphatic esters is very high (in brackets are the corrected values for ethyl octanoate taking into account the MW):
- ethyl hexanoate: 5 g/kg (5973 mg/kg)
- ethyl heptanoate: 34.64 g/kg (37711 mg/kg)
- ethyl nonanoate: 43 g/kg (39762 mg/kg)
The obtained result for the oral LD50 in guinea pigs of ethyl nonanoate is also very high (in brackets are the corrected values for ethyl octanoate taking into account the MW):
- ethyl nonanoate: 24.19 g/kg (22369 mg/kg)
Even though the available studies did not use an OECD guideline to perform the test, a standard method was applied and the results indicate that all aliphatic esters are not toxic after administration of a high single dose via the oral route. The studies on their own are considered not strong enough due to flaws, however, in a weight-of-evidence approach the combined data clearly indicate that ethyl octanoate is not acute toxic via the oral route based on read-across.
For acute dermal toxicity there are 5 studies available relevant for addressing the dermal acute toxicity of ethyl octanoate. The studies of 1975, 1977 and 1976 hold data on ethyl heptanoate, ethyl hexanoate, ethyl octanoate and ethyl nonanoate. All studies were performed in rabbits and were limit tests.
The results indicate that the dermal LD50 in rats of all aliphatic esters is very high (in brackets are the corrected values for ethyl octanoate taking into account the MW):
- ethyl hexanoate: >5 g/kg (> 5973 mg/kg)
- ethyl heptanoate: > 5 g/kg (> 5443 mg/kg)
- ethyl octanoate: >5 g/kg
- ethyl nonanoate: >5 g/kg (> 4624 mg/kg)
Even though the available studies did not follow an OECD guideline to perform the test, a standard method was applied and the results indicate that all aliphatic esters are non toxic after administration of a high single dose via the dermal route. The studies on their own are considered not to be reliable enough due to insufficient documentation, however, in a weight-of-evidence approach the combined data clearly indicates that ethyl heptanoate is not acute toxic via the dermal route.
In conclusion, the available data is sufficient to not classify the substance as an acute toxic substance. Further acute toxicity testing in animals can be ommited as it can be anticipated that no effects will be seen.
Justification for classification or non-classification
According to the CLP legislation a substance is considered acute toxic via the oral route when the LD50 is =< 2000 mg/kg bodyweight. As the LD50 of the test item > 2000 mg/kg bw, the substance is not to be classified as acute toxic for the oral route.
Regarding acute dermal toxicity the CLP legislation states that a substance is considered acute toxic via the dermal route when the ATE is =< 2000 mg/kg bodyweight. As the LD50 of the test item > 2000 mg/kg bw, the substance is also not to be classified as acute toxic for the dermal route.
The available data is sufficient to not classify the substance as an acute toxic substance both via the oral and the dermal route.
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