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EC number: 214-222-2 | CAS number: 1115-20-4
- 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
Link to relevant study record(s)
Description of key information
Key value for chemical safety assessment
Additional information
No data are available for hydroxypivalic acid neopentylglycol ester (HPN). However, the substance is expected to be rapidly absorbed after uptake and cleaved by ubiquitanious esterases to hydroxypivalic acid (CAS 4835 -90 -9) and neopentylglycol (NPG, CAS 126 -30 -7).
Like pivalic acid hydroxypivalic acid is expected to be relatively resistant to biotransformation due to the quaternary structure and do not readily form bioactive metabolites. Since neoacids like hydroxapivalic acid are not readily metabolized they would primarily be eliminated in the urine as glucoronic acid conjugates, carnitine conjugate or by dealkylation (Source: Hazard Characterization for Neoacids C5 TO C28, http://www.epa.gov/hpvis/hazchar/Category_C5-C28%20%20Neoacids_HC_August%202007.pdf ). Due to their structural similarity to NPG (se below) glucoronic acid conjugation and extraction via urine is expected to be the preferred metabolism pathway.
In the study on the expected metabolite neopentylglycol (NPG) reported by Gessner et al. (1960; study meets scientific standards with acceptable restrictions) each of 4 rabbits was gavaged with 1000 -1500 mg/kg bw unlabelled NPG and excretion of the test substance and their metabolites via urine was determined the following 24 h (pooled data). After oral application 62% (range 53-67%) of the applied dose was found in the 24-h urine as the conjugate of glucuronic acid indicating rapid absorption. Only 1.9% of the applied dose was excreted as 3-hydroxy-2,2-dimethylpropionic acid and 0.7% as unchanged neopentyl glycol. 3-hydroxy-2,2-dimethylpropionic acid is also called hydroxypivalic acid which is the second cleavage product of HPN (see above).
Conclusion: HPN is expected to be rapidly cleaved by esterases to NPG and hydroxypivalic acid followed by conjugation of each metabolite with glucuronic acid and excretion via urine.
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