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EC number: 239-937-7 | CAS number: 15834-04-5
- 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
Skin Irritation
RA-S, CAS 68424-31-7, Key, Robinson, 1991, Croda, Skin irr., RL2 – not irritating
Danish EPA, QSAR prediction skin irritation, 2010, RL2
Eye Irritation
RA-S, CAS 68424-31-7, Key, Robinson, 1991, Croda, Eye irr., RL2 – not irritating
Key value for chemical safety assessment
Skin irritation / corrosion
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Eye irritation
Endpoint conclusion
- Endpoint conclusion:
- no adverse effect observed (not irritating)
Additional information
There were no studies conducted for the Fatty Acid Polyol with the CAS No. 15834-04-5 (2,2-bis[[(1-oxopentyl)oxy]methyl]propane-1,3-diyl divalerate), therefore data from studies of structural analogues, conducted according to OECD Guideline 404 (skin irritation/corrosion) and OECD Guideline 405 (eye irritation), were used for read-across.
Skin Irritation
Fatty acids, C5-10, esters with pentaerythritol (CAS No. 68424-31-7) were tested for skin irritation potential according to OECD Guideline 404 (RA-S, CAS 68424 -31 -7, Key, Robinson, 1991, Croda, Skin irr., RL2): The shaved left flank of three female New Zealand White rabbits was exposed to 0.5 mL test material for 4 hours under semi-occlusive conditions. Thereafter, the rabbits were observed for 4 d after exposure and skin reactions were assessed using the Draize scheme periodically (1 hour after application and on days 1, 2, 3 and 4) after removal of the test substance. Very slight to well-defined erythema were observed up to three days after application and very slight to slight edema was observed only one day after application, respectively. All signs regressed and no signs of erythema or edema were evident thereafter.
Furthermore, the result of an acute dermal toxicity study which was conducted according to OECD 402 (RA-S, CAS 131459-39-7, Key, Croda, Allen, 1999, acute dermal, rat, RL2) can be used for risk evaluation of the irritation potential and supports the view that a non-classification of fatty acid polyol esters with short chain length of the fatty acids is warranted for skin irritation. This fatty acid polyol is composed of C5 -C9 fatty acids with pentaerythritol. A single dose of 2000 mg/kg bw of the test material was applied on the shaved skin of five Spraque-Dawley rats for 24 h under semiocclusive conditions and, in addition to mortality and systemic effects, the skin reactions were observed for up to 14 days after exposure. None of the animals showed any signs of skin reaction (erythema/edema/scale) after exposure to this limit dose.
In addition to the experimental data presented above, a (Q)SAR- prediction performed by the Danish Environmental Protection Agency and Danish QSAR group, National Food Institute, Technical University of Denmark (DTU) was available.According to the OASIS Database, CAS No. 15834 -04 -5 was predicted to have no skin irritation potential (Danish EPA, QSAR prediction skin irritation, 2010, RL2).
Taken all results together, all available results for skin irritation confirm that a non classifiaction is warranted.
Eye Irritation
Fatty acids, C5-10, esters with pentaerythritol (CAS No. 68424-31-7) were tested for eye irritation potential according to OECD Guideline 405 (RA-S, CAS 68424-31-7, Key, Robinson, 1991, Croda, eye irr., RL2): 0.1 mL of the test material was instilled into the conjunctival sac of one eye of three New Zealand White rabbits. Animals were observed for 72 hours. Irritation was scored 24, 48 and 72 hours after instillation according to the method of Draize. No corneal or iridial effects were observed. Conjunctival effects included slight redness (one animal) and slight discharge (one animal) were transiently seen approx. one hour after dosing but were completely reversible within the first 24 h.
Justification for classification or non-classification
According to the DSD and CLP criteria for classification and labelling of dangerous substances CAS No. 15834-04-5 (2,2-bis[[(1-oxopentyl)oxy]methyl]propane-1,3-diyl divalerate) is not classified as skin or eye irritant.
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