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EC number: 939-690-1 | CAS number: -
- 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:
according to OECD 423, in compliance with GLP, RL1 (Fujishima, 2005): LD50 > 2000 mg/kg bw
Acute inhalation toxicity:
according to OECD 403, no GLP, 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
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Quality of whole database:
- The available information comprises an adequate and reliable study 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 inhalation route
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed
- Quality of whole database:
- The available information comprises an adequate and reliable study 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 VIII, 8.5, in accordance with Annex XI, 1.5, of Regulation (EC) No 1907/2006.
Acute toxicity: via dermal route
Endpoint conclusion
- Endpoint conclusion:
- no study available
Additional information
Justification for grouping of substances and read-across
There are no data available on the acute toxicity of Multi constituent ester of pentaerythritol 2-ethylhexanoate. In order to fulfil the standard information requirements set out in Annex VII-IX, 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, 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 physicochemical, toxicological and ecotoxicological properties may be predicted from data for reference substance(s) by interpolation to other substances on the basis of structural similarity, 2,2-dimethylpropane-1,3-diyl 2-ethylhexanoate,Hexanoic acid, 2-ethyl-, 2,2-bis [ [(2-ethyl-1-oxohexyl)oxy] methyl] -1,3-propanediyl ester, and Pentaerythritol tetraesters of n-decanoic, n-heptanoic, n-octanoic and n-valeric acids are selected as source substances for assessment.
Acute Toxicity
CAS |
-- (a) |
28510-23-8 (b) |
7299-99-2 (b) |
68424-31-7 (b) |
Chemical name |
Multi constituent ester of pentaerythritol 2-ethylhexanoate |
2,2-dimethylpropane-1,3-diyl 2-ethylhexanoate |
Hexanoic acid, 2-ethyl-, 2,2-bis [ [(2-ethyl-1-oxohexyl)oxy] methyl] -1,3-propanediyl ester |
Pentaerythritol tetraesters of n-decanoic, n-heptanoic, n-octanoic and n-valeric acids |
MW |
388.5 - 640.9g/mol |
356.5 g/mol |
640.9 g/mol |
472.6 – 753.1 g/mol |
Acute toxicity, oral |
RA: CAS 7299-99-2 |
Experimental result: LD50 >2000 mg/kg bw |
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 |
-- |
-- |
-- |
-- |
(a) The substance subject to the REACh Phase-in registration deadline of 31 May 2013 is indicated in bold font. Only for this substance a full set of experimental results and/or read-across is given.
(b) Reference (read-across) substances are indicated in normal font. Lack of data for a given endpoint is indicated by “--“.
The above mentioned substances are considered to be similar on the basis of the similarities in structure, properties and/or activities. The available endpoint information is used to predict the same endpoints for Multi constituent ester of pentaerythritol 2-ethylhexanoate.
A detailed analogue approach justification is provided in the technical dossier (see IUCLID Section 13).
Discussion
Acute toxicity, oral
The surrogate substanceHexanoic acid, 2-ethyl-, 2,2-bis [ [(2-ethyl-1-oxohexyl)oxy] methyl] -1,3-propanediyl esterwas tested in an OECD 423 study in compliance with GLP (Fujishima, 2005). A dosage of 300 and 2000 mg/kg bw was administered by gavage to groups of six female Crj: CD(SD) rats, respectively. Diarrhoea was observed in one animal receiving 300 mg/kg bw on the administration day. However, no other clinical signs, no effects on body weight gain, and no mortality were observed during the 14-day observation period. Therefore, a LD50 of > 2000 mg/kg bw was determined.
Acute oral toxicity of the structural analogue Pentaerythritol tetraesters of n-decanoic, n-heptanoic, n-octanoic and n-valeric acids was investigated in a limit test with female Swiss mice in a study performed similarly to OECD guideline 401 (Bouffechoux, 1991). After five animals received a single oral dosage of 2 mL/kg bw they were observed for 14 days and their weights were recorded on day 1, 7 and 14 after dosing. Since no mortality occurred and no effect on body weight and no clinical signs of toxicity were observed up to the end of the 14-day observation period, the LD50 was estimated to be > 2 mL/kg bw, corresponding to > 1880 mg/kg bw.
Acutetoxicity, inhalation
Acute inhalation toxicity is assessed by use of the data from the structural analogue Pentaerythritol tetraesters of n-decanoic, n-heptanoic, n-octanoic and n-valeric acids, which was tested in limit test in accordance with OECD guideline 403 (Parr-Dobrzanski, 1994). Five male and female Alpk:APfSD rats were exposed nose only for 4 hours to approximately 5.1 mg/L (analytical concentration of the aerosol of the test material). No mortality occurred and no signs of systemic toxicity were observed during the 14-days observation period. Other effects observed (hunched posture, chromodacryorrhoea, piloerection, stains around the nose and wet fur) were reversible. Body weight gain and lung weight were within normal limits and there were no treatment related gross pathological findings. Based on these data, the LC50 was estimated to be > 5.1 mg/L air.
Acute toxicity, dermal
The physicochemical and toxicological properties of Multi constituent ester of pentaerythritol 2-ethylhexanoatedo not suggest potential for a significant rate of absorption through the skin. Therefore, testing by the dermal route is deemed not appropriate.
Conclusion
In studies performed with analogue substances no oral or inhalation toxicity was observed. A LD50 value of >2000 mg/kg bw was observed for the oral route and a LC50 >5.1 mg/L was observed after inhalation exposure. In conclusion, the available data of the structural analogue substances indicate that Multi constituent ester of pentaerythritol 2-ethylhexanoate is not acutely toxic via the oral or inhalation route.
Justification for selection of acute toxicity – oral 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 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 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.
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