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EC number: 451-200-3 | 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
Key value for chemical safety assessment
Additional information
Genetic toxicity in vitro
No studies on the genotoxicity of the test substance were available; therefore data of studies from structural analogues, conducted according to OECD Guideline 471 (Bacterial Reverse Mutation Test), OECD Guideline 473 (In Vitro Mammalian Chromosome Aberration Test), and OECD Guideline 476 (In Vitro Mammalian Cell Gene Mutation Test) were used for read-across.
An in vitro Mammalian Cell Gene Mutation Test was conducted with 2,2-bis[[(1-oxopentyl)oxy]methyl]propane-1,3-diyl divalerate (CAS No. 15834-04-5) according to OECD Guideline 476. Mouse lymphoma L5178Y cells were dosed with 0.03, 0.1, 0.3, 1, 3, 10, 33, 100 µg/ml with and without metabolic activation. No signs of toxicity were observed, DMSO was used as vehicle, precipitation was observed at and above 100 µg/ml. There was no significant increase in the number of forward mutations at the thymidine kinase locus of L5178Y mouse lymphoma cells treated with the test material, indicated by the total number of colonies per plate (RA-S, CAS 15834-04-5, Key, Verspeek-Rip, 2010, gene mut in mamm cells, RL2).
In an Ames test conducted with a structural analogue, Decanoic acid, ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol octanoate (CAS No. 11138-60-6), Salmonella typhimurium strains TA 1535, TA 1537, TA 1538, TA 98, TA 100 and E.coli WP2 uvr A were treated according to OECD Guideline 471 (RA-S, CAS 11138-60-6, Key, Exxon, Baily, 1996, Ames, RL2).
The test substance was diluted in ethanol and test substance concentrations of 0, 10, 33, 100, 333 and 1000 µg/plate were tested in triplicate, both with and without the addition of a rat liver homogenate metabolising system (S9). Precipitation of the test substance was observed at and above 100 µg/plate. The test material caused no cytotoxicity up to the highest, precipitating dose. No significant increases in the frequency of revertant colonies were recorded for any of the bacterial strains, with any dose of the test material, either with or without metabolic activation.
An in vitro mammalian chromosome aberration test was performed with CAS No. 131459-39-7 (3,5,5-trimethylhexanoic acid mixed tetraesters with PE and valeric acid) in human lymphocytes (RA-S, CAS 131459-39-7, Key, Croda, Wright, 1999, ChrAb, human, RL2). The occurrence of chromosome aberrations was investigated in the presence and absence of metabolic activation (rat liver S9-mix) with test substance concentrations of 0, 312.5, 625, 1250, 2500, 5000 µg/mL diluted with acetone. The test substance did not induce a significant increase in the number of metaphases with aberrations at any preparation time and dose level. No relevant cytotoxic effects were reported. Precipitation of the test substance was observed at and above 1250 µg/ml. Positive controls significantly increased the rate of chromosome aberrations indicating the sensitivity of the assay. In conclusion, the test substance did not induce chromosome aberrations in human lymphocytes, neither in the presence nor in the absence of a metabolic activation system, under these experimental conditions.
Genetic toxicity in vivo
No in vivo studies on the genotoxicity of the test substance were available.Fatty acids, C5-10, esters with pentaerythritol (CAS No. 68424-31-7) were found to be not genotoxic in the micronucleus assay in vivo after intraperitoneal application. A single intraperitoneal injection was given to groups of 5 male and 5 female mice at a dose level of 5000 mg/kg bw. Bone marrow samples were taken 24 and 48 hours after dosing.
No statistically or biologically significant increases in the incidence of micronucleated polychromatic erythrocytes over the vehicle control values were seen in either sex at either of the sampling times.
Comparison of the percentage of polychromatic erythrocytes showed no significant differences between the female animals treated with the vehicle control or with the test material. A small, but significant decrease was, however, noted in male mice treated with the test material at 5000 mg/kg bw. This small decrease is, however, considered not to be biologically significant compared to the concurrent control values.
The positive control induced statistically significant and biologically meaningful increases in micronucleated polychromatic erythrocytes, compared to the vehicle control values, thus demonstrating the sensitivity of the test system to a known clastogen(RA-S, CAS No. 68424 -31 -7, Key, Croda, Griffiths, 1992, CTL/P/3792, Micronuc., RL2).
Considering the clearly negative results of the in vitro and in vivo experiments used as read-across and the proven physiological metabolism of fatty acids and excretion of polyols, it can be assumed that fatty acids, C5-9, esters with pentaerythritol (CAS No. 68424-30-6) are not genotoxic, neither in vitro nor in vivo.
Short description of key information:
Genetic toxicity in vitro
RA-S, CAS 11138-60-6, Key, Exxon, Baily, 1996, Ames, RL2 – not mutagenic
RA-S, CAS 131459-39-7, Key, Croda, Wright, 1999, ChrAb, human, RL2 – not clastogenic
RA-S, CAS 15834-04-5, Key, Verspeek-Rip, 2010, gene mut in mamm cells, RL2 – not mutagenic
Genetic toxicity in vivo
RA-S, CAS 68424-31-7, Key, Croda, Griffiths, 1992, CTL/P/3792, Micronuc., RL2 - not genotoxic
Endpoint Conclusion: No adverse effect observed (negative)
Justification for classification or non-classification
According to the DSD and CLP criteria for classification and labelling of dangerous substances the CAS No. 68424-30-6 (Fatty acids, C5-9, esters with pentaerythritol) is not classified as mutagenic.
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