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EC number: 249-060-1 | CAS number: 28510-23-8
- 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
![](https://poisoncentres.echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_toxicological-information.png)
Endpoint summary
Administrative data
Description of key information
Acute oral toxicity:
equivalent to OECD 401 and in compliance with GLP, RL2 (Duerden, 1994): LD50>2000 mg/kg bw
Acute inhalation toxicity:
according to OECD 403, no data on GLP compliance, RL2 (Parr-Dobrzanski, 1994): LC50>5.1 mg/L air
Acute dermal toxicity:
No data available
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: Basic data given.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 401 (Acute Oral Toxicity)
- Deviations:
- yes
- Remarks:
- limited data
- GLP compliance:
- yes
- Test type:
- standard acute method
- Limit test:
- yes
- Species:
- rat
- Strain:
- not specified
- Sex:
- male/female
- Route of administration:
- oral: unspecified
- Vehicle:
- corn oil
- Doses:
- 2000 mg/kg bw
- No. of animals per sex per dose:
- Not specified
- Control animals:
- not specified
- Sex:
- male/female
- Dose descriptor:
- LD50
- Effect level:
- > 2 000 mg/kg bw
- Based on:
- test mat.
- Mortality:
- No mortality observed.
- Clinical signs:
- other: No clinical signs of toxicity were observed.
- Interpretation of results:
- not classified
- Remarks:
- Migrated informationCriteria used for interpretation of results: EU
- Conclusions:
- CLP: not classifiedDSD: not classified
- Endpoint:
- acute toxicity: oral
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 03 June 1996 - 17 Jun 1996
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Basic data given.
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 401 (Acute Oral Toxicity)
- Deviations:
- yes
- Remarks:
- Only basic data on test compound and procedure given
- GLP compliance:
- not specified
- Test type:
- standard acute method
- Limit test:
- yes
- Species:
- mouse
- Strain:
- Swiss
- Sex:
- female
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS- Weight at study initiation: 22.6 g (mean)
- Route of administration:
- oral: unspecified
- Vehicle:
- not specified
- Doses:
- 2 mL/kg bw
- No. of animals per sex per dose:
- 5
- Control animals:
- no
- Details on study design:
- - Duration of observation period following administration: 14 days- Frequency of observations and weighing: obervations were performed aily; weighing of body weights on Days 1, 7 and 14- Necropsy of survivors performed: no
- Sex:
- female
- Dose descriptor:
- LD50
- Effect level:
- > 2 mL/kg bw
- Based on:
- test mat.
- Sex:
- female
- Dose descriptor:
- LD50
- Effect level:
- > 1 880 mg/kg bw
- Based on:
- test mat.
- Remarks on result:
- other: converted from mL/kg bw based on a density of 0.94 g/L (Sparc OnlineCalculator, 2009)
- Mortality:
- No mortality occurred during the study period.
- Clinical signs:
- other: No clinical signs of toxicity were observed up to the end of the 14-day observation period.
- Interpretation of results:
- not classified
- Remarks:
- Migrated informationCriteria used for interpretation of results: EU
- Conclusions:
- CLP: not classifiedDSD: not classified
Referenceopen allclose all
Body weight:
Animal # | 36 | 37 | 38 | 39 | 40 |
Day 1 | 23.3 | 21.9 | 21.1 | 22.8 | 24.1 |
Day 7 | 27.5 | 24.1 | 22.8 | 22.7 | 22.1 |
Day 14 | 30.4 | 26.5 | 24.4 | 22.1 | 27.8 |
Animals had normal body weight gain.
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Quality of whole database:
- The available information comprises adequate, reliable (Klimisch score 1-4) and consistent studies, and is thus sufficient to fulfil the standard information requirements set out in Annex VII, 8.5, of Regulation (EC) No 1907/2006.
Acute toxicity: via inhalation route
Link to relevant study records
- Endpoint:
- acute toxicity: inhalation
- Type of information:
- migrated information: read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Study period:
- 22 Mar - 05 Apr 1994
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Guideline study with acceptable restrictions (only few data on test item and animal husbandry were given)
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 403 (Acute Inhalation Toxicity)
- Deviations:
- yes
- Remarks:
- (No details on test material and limited data on animal husbandry)
- GLP compliance:
- not specified
- Test type:
- standard acute method
- Limit test:
- yes
- Species:
- rat
- Strain:
- other: Alpk:APfSD
- Sex:
- male/female
- Details on test animals or test system and environmental conditions:
- TEST ANIMALS- Source: Alderly Park, Cheshire, UK- Age at study initiation: approx. 7 weeks
- Route of administration:
- inhalation: aerosol
- Type of inhalation exposure:
- nose only
- Vehicle:
- other: unchanged (no vehicle)
- Details on inhalation exposure:
- GENERATION OF TEST ATMOSPHERE / CHAMBER DESCRIPTION- Source and rate of air: dried and filtered air- System of generating aerosols: glass concentric jet atomiser- Method of particle size determination: Marple Cascade Impactor- Temperature, humidity, pressure in air chamber: 20 L/minTEST ATMOSPHERE- Brief description of analytical method used: gravimetrically- Samples taken from breathing zone: yesTEST ATMOSPHERE (if not tabulated)- MMAD (Mass median aerodynamic diameter) / GSD (Geometric st. dev.): 1.51 µm/2.51
- Analytical verification of test atmosphere concentrations:
- yes
- Remarks:
- particulate concentrations of the test atmospheres close to the animals breathing zone were measured gravimetrically
- Duration of exposure:
- 4 h
- Concentrations:
- 5.0 mg/L (nominal)5.10 mg/L (analytical)
- No. of animals per sex per dose:
- 5
- Control animals:
- not specified
- Details on study design:
- - Duration of observation period following administration: 14 days - Frequency of observations and weighing: animals were observed for gross clinical abnormalities during exposure and were checked daily thereafter. A detailed examination was conducted after exposure on day 1 and on consecutive days, up to and including day 15. Individual body weights were recorded on day 1 and days 2, 3, 8 and day 15. - Necropsy of survivors performed: yes
- Sex:
- male/female
- Dose descriptor:
- LC50
- Effect level:
- > 5.1 mg/L air (analytical)
- Based on:
- test mat.
- Exp. duration:
- 4 h
- Mortality:
- No mortality occurred during the study period.
- Clinical signs:
- other: Some clinical signs were noticed, which consisted of hunched position, chromodacryorrhea, piloerection, staining around nose and wet fur. These signs however occurred during or just after exposure and were clearly consistent with the use of restraint for
- Body weight:
- No effect on body weight was noted.
- Gross pathology:
- Necropsy and histopathological examination revealed no substance-related findings.
- Interpretation of results:
- not classified
- Remarks:
- Migrated informationCriteria used for interpretation of results: EU
- Conclusions:
- CLP: not classifiedDSD: not classified
Reference
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Quality of whole database:
- The available information comprises an adequate and reliable study (Klimisch score 2 due to read-across) from a reference substance with similar structure and intrinsic properties. Read-across is justified based on common functional group, common breakdown products, and similarities in PC/TOX properties (refer to endpoint discussion for further details). The selected study is thus sufficient to fulfil the standard information requirements set out in Annex VII, 8.5, in accordance with Annex XI, 1.5, of Regulation (EC) No 1907/2006.
Acute toxicity: via dermal route
Link to relevant study records
- Endpoint:
- acute toxicity: dermal
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- other:
Reference
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Justification for grouping of substances and read-across
There are no sufficient data available for the acute toxicity of 2,2-dimethylpropane-1,3-diyl 2-ethylhexanoate (CAS 28510-23-8). In order to fulfil the standard information requirements set out in Annex IX, 8.6, in accordance with Annex XI, 1.5, of Regulation (EC) No 1907/2006, read-across from structurally related substances was conducted.
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, 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).
Having regard to the general rules for grouping of substances and read-across approach laid down in Annex XI, 1.5, of Regulation (EC) No 1907/2006, whereby substances may be predicted as similar provided that their physicochemical, toxicological and ecotoxicological properties are likely to be similar or follow a regular pattern as a result of structural similarity.
Acute Toxicity
CAS | 28510-23-8 | 68424-31-7 |
Chemical name | 2,2-dimethylpropane-1,3-diyl 2-ethylhexanoate | Fatty acids, C5-10 (linear and branched and without 2-Ethylhexanoic acid), mixed esters with pentaerythritol |
MW | 356.55 g/mol | 612.90 g/mol |
Acute toxicity oral | Experimental result: LD50 > 2000 mg/kg bw | Experimental result: LD50 > 2000 mg/kg bw |
Acute toxicity inhalation | RA: CAS 68424-31-7 | Experimental result: LC50 > 5100 mg/m³ |
Acute toxicity dermal | - | - |
The above mentioned substances are considered to be similar on the basis of the structural similarity resulting in similar properties and/or activities. The available endpoint information is used to predict the same endpoints for 2,2-dimethylpropane-1,3-diyl 2-ethylhexanoate (CAS 28510-23-8).
A detailed analogue approach justification is provided in the technical dossier (see IUCLID Section 13).
Discussion
Acute oral
In an acute oral toxicity study similar to OECD guideline 401 and in compliance with GLP, male and female rats were dosed with 2000 mg/kg bw test substance (Duerden, 1994). No detailed information on number of rats or oral administration was given. No clinical signs of toxicity were observed. As no mortality was observed, the LD50 was considered to be >2000 mg/kg bw.
Supporting data were available in an acute oral toxicity study equivalent to OECD guideline 401 (Bouffechoux, 1991). Five female Swiss mice received an oral dose of 2 mL/kg bw (corresponding to 1880 mg/kg bw based on a density of 0.94 g/L) test substance via gavage (limit test). No effect on body weight and no systemic toxicity were observed. As no mortality occurred during the 14-days observation period, the LD50 was considered to be >1880 mg/kg bw.
In conclusion, as no signs of toxicity were observed in studies in rats and mice and no mortality was observed neither in rats nor in mice,2,2-dimethylpropane-1,3-diyl 2-ethylhexanoate is not acutely toxic after oral application. As no mortality occurred in the rats up to 2000 mg/kg bw the LD50 was set to >2000 mg/kg bw.
Acute Inhalation
There are no data available on the acute toxicity of2,2-dimethylpropane-1,3-diyl 2-ethylhexanoate by inhalation.In order to fulfil the standard information requirements set out in Annex IX, in accordance with Annex XI, 1.5, of Regulation (EC) No 1907/2006 read-across from the structurally related analogue substanceFatty acids, C5-10 (linear and branched and without 2-Ethylhexanoic acid), mixed esters with pentaerythritolis conducted.
An acute inhalation study equivalent to OECD 403 is available forFatty acids, C5-10 (linear and branched and without 2-Ethylhexanoic acid), mixed esters with pentaerythritol (Parr-Dobrzanski, 1994). Five rats per sex were exposed (nose-only) to 5.1 mg/L (analytical concentration) of an aerosol of the test substance for 4 h. No mortality occurred within the 14-day observation period. Some clinical signs were noticed, which consisted of hunched position, chromodacryorrhea, piloerection, staining around nose and wet fur. These signs however occurred during or just after exposure and were clearly consistent with the use of restraint for exposure. No effect on body weights was noted. Pathological and histopathological examinations revealed no substance-related findings. The LC50 was considered to be >5.1 mg/L.
Conclusion
In conclusion, the available data on the acute toxicity of2,2-dimethylpropane-1,3-diyl 2-ethylhexanoate and analogue substances indicate that 2,2-dimethylpropane-1,3-diyl 2-ethylhexanoate is not acutely toxic after oral and inhalation exposure, resulting in a LD50 > 2000 mg/kg bw and a LC50 >5.1 mg/L, respectively.
Justification for selection of acute toxicity – oral endpoint
The selected study is the most adequate and reliable study.
Justification for selection of acute toxicity – inhalation endpoint
Hazard assessment is conducted by means of read-across from a structural analogue. The selected study is the most adequate and reliable study based on the
identified similarities in structure and intrinsic properties between source and target substance and overall quality assessment (refer to the endpoint discussion for further details).
Justification for classification or non-classification
The available data on acute toxicity of the test substance do not meet the criteria for classification according to Regulation (EC) 1272/2008 or Directive 67/548/EEC, and are therefore conclusive but not sufficient for classification.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
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