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EC number: 286-061-6 | CAS number: 85186-76-1
- 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
Using a Read Across Category approach with Long Chain Acid Esters substances (C8 to C18) according to the Annex XI Item 1.5, of Regulation (EC) No 1907/2006, all available acute oral toxicity studies within this category resulted in an acute oral Lethal Dose 50 (LD50) value higher than 2000 mg/kg bw (oral exposure) and LC50 was defined at higher than 5.7 mg/L (inhalation exposure). Hence, according to the CLP criteria, the test item Isostearate Ethyl Hexyl was not classified for acute oral hazard (or Category 5 according to GHS criteria)
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 based on grouping of substances (category approach)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Read Across Category Endpoint Specific Report
- Test type:
- standard acute method
- Key result
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- > 2 000 mg/kg bw
- Based on:
- test mat.
- Interpretation of results:
- GHS criteria not met
- Conclusions:
- According to the results from experimental study performed on the substances of the LCAE Category, the LD50 value for the Isostearate Ethyl Hexyl was defined higher than 2000 mg/kg bw. Hence, according to the CLP criteria and the category approach, the registered substance was not classified for Acute Oral Hazard (or Category 5 according to GHS criteria).
- Executive summary:
According to the Regulation (EC) NO. 1907/2006, Annex XI, 1.5, A Read-Across Category for Long Chain Fatty Acid was performed in order to provide informations on the Isostearate Ethyl Hexyl.
This category was based on common and shared physico-chemical and structural properties as:
- common functional group,
- common precursors and the likehood of common impurities as well as common breakdown products via biological processes, which are chemically structurally similar, and
- constant pattern in the changing of the potency of the properties across the category.
The fatty acids linked with 2-ethylhexyl esters have a common metabolic fate in organisms as glycolytic and fatty acid pathways after first hydrolysis step which led in breakdown products. The common toxicokinetic properties and behavior are expected due to the constant pattern (ethylhexyl esters and the fatty acid chain). The toxicological profiles between the members of the category are expected to be the same.
Several reliable studies were available (GLP, accordingly to OECD 401 guideline method). The experimental studies were performed in rodents (rat and mouse) which were treated orally (gavage) by single dose. Lethal Dose 50 (LD50 ) values were found to be greater than 2000 mg/kg bw, or 4300 mg/kg bw and 10 0000 mg/kg bw in the differents test performed.
According to the results from experimental study performed on the substances of the LCAE Category, the LD50 value for the Isostearate Ethyl Hexyl was defined higher than 2000 mg/kg bw. Hence, according to the CLP criteria and the category approach, the registered substance was not classified for Acute Oral Hazard (or Category 5 according to GHS criteria).
Reference
Table 1: Results from key studies on source chemicals of the category for acute oral toxicity tests
ID# |
CAS |
Acute oralToxicity |
Fatty acids, C8-16, 2- |
135800-37-2 |
Experimental result: |
Fatty acids, coco, 2-ethylhexyl esters |
92044-87-6 |
Experimental result: |
2-Ethylhexyl palmitate |
29806-73-3 |
No data |
Fatty acids, C16-18 and C18-unsatd., 2- |
85049-37-2 |
Experimental result: LD50 > |
Fatty acids, C16-18, 2-ethylhexyl esters |
91031-48-0 |
LD50 > 4300 mg/kgbw |
2-Ethylhexyloleate |
26399-02-0 |
Experimental result: |
2-Ethylhexylstearate |
22047-49-0 |
Experimental result: |
Similar toxicokinetic behavior and toxicity profile
All category members are subject to enzymatic hydrolysis by pancreatic lipases resulting in free acids and alcohol. Based on current literature, when absorbed from intestines and carried through blood stream, fatty acids are oxidized by beta-oxydation pathway in order to provide energy for cell and stored as glycerides esters in fat deposit. The alcohols are primarily metabolized in the liver.
Hence, it can be stated that the members of the category have the same toxicity due to the same metabolic pathways when absorbed in the organisms.
Several studies were performed in members of the category for acute oral toxicity. For acute oral toxicity studies, results showed an LD50 value greater than 2000 mg/kgbw.
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LD50
- Value:
- 2 000 mg/kg bw
Acute toxicity: via inhalation route
Link to relevant study records
- Endpoint:
- acute toxicity: inhalation
- Type of information:
- read-across based on grouping of substances (category approach)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: read across category
- Key result
- Sex:
- male/female
- Dose descriptor:
- LC50
- Effect level:
- > 5.7 mg/L air
- Based on:
- test mat.
- Exp. duration:
- 4 h
- Interpretation of results:
- Category 5 based on GHS criteria
- Conclusions:
- One key study was performed in a member of the category for acute inhalation toxicity. Results showed an LD50 value greater than 5.7 mg/L (analytical).
- Executive summary:
According to the Regulation (EC) NO. 1907/2006, Annex XI, 1.5, A Read-Across Category for Long Chain Fatty Acid was performed in order to provide informations on the Isostearate Ethyl Hexyl.
This category was based on common and shared physico-chemical and structural properties as:
- common functional group,
- common precursors and the likehood of common impurities as well as common breakdown products via biological processes, which are chemically structurally similar, and
- constant pattern in the changing of the potency of the properties across the category.
This category is based on similar chemical properties as long fatty chain (C8 to C18) linked to 2-ethylhexyl esters. The members of the category are poorly soluble in water, not volatile and have high adsorption potential. They are not expected to be found in air or water compartments. If released in surface water, the substances would probably partition from the water phase to the sediment. However these substances being readily biodegradability as measured in different screening tests, and highly sorptive as demonstrated with calculated estimations, so they will be eliminated in sewage treatment plants to a high extent. Release to surface waters and thereby exposure of sediment is therefore considered as negligible due to the elimination in sewage treatment plant. Moreover the fatty acids esters are expected to be metabolized by living organisms using common pathways, as dietary fats.
The fatty acids linked with 2-ethylhexyl esters have a common metabolic fate in organisms as glycolytic and fatty acid pathways after first hydrolysis step which led in breakdown products. The common toxicokinetic properties and behavior are expected due to the constant pattern (ethylhexyl esters and the fatty acid chain). The toxicological profiles between the members of the category are expected to be the same.
One key study was performed in a member of the category for acute inhalation toxicity. Results showed an LD50 value greater than 5.7 mg/L (analytical). Hence, the target substance was not classified for acute inhalation toxicity according to CLP criteria.
Reference
Table 1: Results from key studies on source chemicals of the category for acute inhalation toxicity tests
ID# |
CAS |
Acute inhalation Toxicity |
Fatty acids, C8-16, 2- |
135800-37-2 |
No data |
Fatty acids, coco, 2-ethylhexyl esters |
92044-87-6 |
No data |
2-Ethylhexyl palmitate |
29806-73-3 |
No data |
Fatty acids, C16-18 and C18-unsatd., 2- |
85049-37-2 |
No data |
Fatty acids, C16-18, 2-ethylhexyl esters |
91031-48-0 |
No data |
2-Ethylhexyl oleate |
26399-02-0 |
Experimental result: |
2-Ethylhexyl stearate |
22047-49-0 |
No data |
Similar toxicokinetic behavior and toxicity profile
All the category substance are fatty acid esters. After inhalation, it is expected that substances are hydrolyzed by lipases. Substances that are absorbed through the pulmonary alveolar membrane could enter the systemic circulation directly before joining the liver where hydrolysis basically takes place. They are expected to be metabolized in common energetic pathways or excreted.
Hence, it can be stated that the members of the category have the same toxicity due to the same metabolic pathways when absorbed in the organisms.
One key study was performed in a member of the category for acute inhalation toxicity. Results showed an LD50 value greater than 5.7 mg/L (analytical).
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Dose descriptor:
- LC50
- Value:
- 5 700 mg/m³
Additional information
Justification and rationale of the category approach for the isostearate 2-ethylhexyl :
This category group covers 2-ethyl hexyl esters linked with fatty acid chains (C8 to C18) unsatured and satured. This category includes monoconstituent substances and UVCB substances varying fatty acid chain length. This category was made in order to provide sufficient information for physicochemical, ecotoxicological and toxicological caracterisation of the Fatty acids, C14-18 and C18-unsatd., branched and linear, 2-ethylhexyl esters (CAS No 85186-76-1)
The category group includes:
- Fatty acids, C8-16, 2-ethylhexyl esters (CAS No 135800-37-2)
- Fatty acids, coco, 2-ethylhexyl esters (CAS No 92044-87-6)
- 2-Ethyl hexyl palmitate (29806-73-3)
- Fatty acids, C16-18 and C18-unsatd., 2-ethylhexyl esters (CAS No 85049-37-2)
- Fatty acids, C16-18, 2-ethylhexyl esters (CAS No 91031-48-0)
- 2-Ethylhexyl oleate (CAS No 26399-02-0)
- 2-Ethyl hexyl stearate (CAS No 22047-49-0)
Target substance for Category Approach: Fatty acids, C14-18 and C18-unsatd., branched and linear, 2-ethylhexyl esters (CAS No 85186-76-1)
In accordance with article 13 (1) of Regulation (EC) No. 1907.2006, “information on intrinsic properties of substances may be generated by means other than tests, provided that the conditions set out in Annex XI are met. In particular for human toxicity, environmental fate and ecotoxicity, information shall be generated whenever possible by means other than vertebrate animal tests which includes the use of information from structurally related substances (grouping or read across)”. Therefore, the available experimental data were collected and evaluated according to Annex XI requirements.
Summary of the available studies for acute oral toxicity
2-Ethylhexyl palmitate CAS 29806-73-3
Three reliable studies investigating the acute toxicity via the oral route of 2-ethylhexyl palmitate are available (CAS No. 29806-73-3). This key study was performed equivalently to OECD Guideline 401 (Sugar, 1980). Single oral gavage dosing of 2000 mg test substance /kg bodyweight in vegetable oil to three fasted male and female CD-1 rats caused no mortality or clinical signs of toxicity. Thus, the acute oral LD50 in rats was found to be greater than 2000 mg/kg bw.
In another oral gavage supporting study with the same substance, 2-ethylhexyl palmitate an acute oral LD50 > 5 mL/kg body weight for male and female NMRI mice was reported (Planchette, 1985).
In the third study (suporting study, Green, 1972), 5 male and female Albino rats were orally treated with undiluted 2-ethylhexyl palmitate at 2000, 4000, 8000, 16,000, 32,000 and 64,000 mg/kg bw. No mortality occurred during the 14 day observation period. Animals dosed at 16,000 mg/kg bw and below did not exhibit any toxic effects. At 32,000 mg/kg bw wet, unkempt coat and mild diarrhoea were noted. These effects were reversible within 48 hours. At 64,000 mg/kg bw slight ocular haemorrhage accompanied with moderate diarrhoea were noted. The coat of the animals appeared wet and unkempt for 5 days following treatment.
Fatty acids, coco, 2-ethylhexyl esters CAS 92044-87-6
Two studies investigating the acute toxicity via the oral route of fatty acids, coco, 2-ethylhexyl esters are available (CAS No. 92044-87-6):
An acute oral toxicity study (limit test) was performed as key study with fatty acids, coco, 2-ethylhexyl esters according to OECD Guideline 401 under GLP conditions (Reijnders, 1987). Groups of 5 male and female fasted Wistar rats received single oral gavage doses of 2000 mg/kg bw. The animals were observed for 14 days after administration. No mortalities and no signs of clinical toxicity were reported. No abnormalities were found at macroscopic post mortem examination of the animals. The acute oral LD50 was found to be greater than 2000 mg/kg bw.
Another supporting study in which the acute oral toxicity of fatty acids, coco, 2-ethylhexyl esters was studied in NMRI mice similarly to OECD guideline 401 is available (Masson, 1985). The test material was administered at a single dose of 4300 mg/kg bw (equivalent to 5 mL/kg bw, based on a density of 0.87 g/mL). No mortalities and no clinical signs were observed during the observation period. Therefore, under the conditions of this study, the oral LD50 in male and female mice was greater than 4300 mg/kg bw.
Fatty acids, C16-18, 2-ethylhexyl esters CAS 91031-48-0
The acute oral toxicity of fatty acids, C16-18, 2-ethylhexyl esters (CAS No. 91031-48-0) was tested in male and female NMRI EOPS mice according to OECD Guideline 401 (Key study, Masson, 1985). Administration of 4300 mg/kg bodyweight as single oral gavage dose caused no mortality, abnormal clinical reactions or changes in bodyweight gain. Therefore, the acute oral LD50 in mice was found to be greater than 4300 mg/kg bodyweight.
In a second study (supporting study, Potokar, 1978), 10 male CF-1 mice were orally treated with 10,000 mg/kg bw. No mortality occurred and no only clinical signs were noted during the 8 day observation period. Thus, the acute oral LD50 was found to be greater than 10,000 mg/kg bw in mice.
Acute Inhalation Toxicity study summary
An acute inhalation study was performed with 2-ethylhexyl oleate (CAS No. 26399-02-0) according to OECD guideline 436 as acute toxic class method in 3 male and 3 female Crl:WI(Han) rats (van Huygevoort, 2010). The animals were exposed to an analytical concentration of 5.7 mg/L of the test substance for 4 hours nose only in an exposure chamber based on the flow past nose-only inhalation chamber. No mortalities were reported during the exposure or within the 14 days observation period. Hunched posture was shown by all animals on Day 2 after exposure. No clinical signs were noted during exposure. Additionally body weight gain in males and females was within the range expected for rats of this strain and age used in this type of study. No abnormalities were found at macroscopic post-mortem examination of the animals. The inhalatory 4 hour LC50 value of 2-ethylhexyl oleate aerosol in Wistar rats was found to exceed 5.7 mg/L.
Justification for classification or non-classification
Using a Read Across Category approach with Long Chain Acid Esters substances (C8 to C18) according to the Annex XI Item 1.5, of Regulation (EC) No 1907/2006, all available acute oral toxicity studies within this category resulted in an acute oral Lethal Dose 50 (LD50) value higher than 2000 mg/kg bw (oral exposure) and LC50 was defined at higher than 5.7 mg/L (inhalation exposure). Hence, according to the CLP criteria, the test item Isostearate 2-Ethyl Hexyl was not classified for acute oral hazard (or Category 5 according to GHS criteria)
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