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EC number: 940-029-4 | CAS number: 1474044-86-4
- 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
Hydrolysis
Administrative data
- Endpoint:
- hydrolysis
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- other: The study was conducted according to the O.E.C.D. test guideline 111 with GLP compliance.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 012
- Report date:
- 2012
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 111 (Hydrolysis as a Function of pH)
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
Test material
- Reference substance name:
- 2,3-epoxypropyl neodecanoate
- EC Number:
- 247-979-2
- EC Name:
- 2,3-epoxypropyl neodecanoate
- Cas Number:
- 26761-45-5
- Molecular formula:
- C13H24O3
- IUPAC Name:
- Oxiran-2-ylmethyl 2-ethyl-2,5-dimethylhexanoate
- Reference substance name:
- Neodecanoic acid, oxiranylmethyl ester
- IUPAC Name:
- Neodecanoic acid, oxiranylmethyl ester
- Test material form:
- other: Colorless liquid at room temperature.
- Details on test material:
- As per IUCLID5 Sections 1.1. 1.2. 1.4. and 4.1. for 2,3-epoxypropyl neodecanoate, REACH Registration: 01-2119431597-33-0000.
Constituent 1
Constituent 2
- Radiolabelling:
- no
Study design
- Analytical monitoring:
- yes
- Details on sampling:
- Samples were taken at 3.5, 23, 25.5, 29 47, 49.5 and 52 hr for gas chromatograohy analysis.
- Buffers:
- pH4, Potassium hydrogen phthalate 0.05 mol/ml
pH7, Disodium hydrogen orthophosphate (anhydrous) 0.03 mol/ml, Potassium dihydrogen orthophosphate 0.02 mol/ml and Sodium chloride 0.02 mol/ml
pH9, Disodium tetraborate, 0.01 mol/ml and Sodium chloride 0.02 mol/ml. - Details on test conditions:
- Test sample solutions were prepared in stoppered glass flasks at a nominal concentration of 30 mg/L in the three buffer solutions. A 1% co-solvent of acetone was used to aid solubility. The test solutions were split into individual vessels for each data point and shielded from light whilst maintained at the test temperature. Testing was conducted at pH 4, pH 7 and pH 9, with solutions being maintained at 50.0, 60.0 and 70.0 ± 0.5 °C.
Identification of hydrolysis products was performed. Selected sample solutions were additionally analysed by gas chromatography mass spectroscopy (GC-MS) using the GC conditions described. The concentration ofthe test sample solution was determined by gas chromatography (GC). An aliquot (20 mL) of each sample was extracted with three portions (3 x 3 ml) of methyl tertbutyl ether (MTBE), using approximately 2 g of sodium chloride added to the aqueous phase to aid extraction. The combined extracts were diluted to 1.0 ml in a volumetric flask. Duplicate standard solutions of test item were prepared in MTBE at a nominal concentration of 6O mg/L. Incubations were upto 52 hr.
Duration of test
- Duration:
- 52 h
- Initial conc. measured:
- ca. 30 mg/L
- Number of replicates:
- 2
- Negative controls:
- yes
- Statistical methods:
- No data
Results and discussion
- Test performance:
- As per O.E.C.D. test guideline 111.
- Transformation products:
- yes
Identity of transformation products
- No.:
- #1
Reference
- Reference substance name:
- Unnamed
- IUPAC name:
- Diol of the test substance.
- Identifier:
- common name
- Identity:
- Diol of the test substance.
- Details on hydrolysis and appearance of transformation product(s):
- Analysis of selected hydrolysed test solutions (pH 4, 49.5-Hour, 50 °C; pH 7, 52-Hour, 50 °C and pH 9 52-Hour, 50 °C) indicated that the degradation products were most likely the diol of the test substance
Total recovery of test substance (in %)
- % Recovery:
- ca. 74.5
- St. dev.:
- 59
Dissipation DT50 of parent compoundopen allclose all
- pH:
- 4
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- ca. 9.13
- DT50:
- ca. 210 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 7
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- ca. 8.11
- DT50:
- ca. 238 h
- Type:
- (pseudo-)first order (= half-life)
- pH:
- 9
- Temp.:
- 25 °C
- Hydrolysis rate constant:
- ca. 8.18
- DT50:
- ca. 235 h
- Type:
- (pseudo-)first order (= half-life)
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The test substance was determined to have a hydrolysis half-life of approximately 228 hr (9.5 days) over a pH range of 4 - 9. The diol of the test substances was observed to be the primary hydrolysis product.
- Executive summary:
The test substance, 2,3-epoxypropyl neodecanoate was accessed for pH dependent hydrolysis by an O.E.C.D. test guideline 111 study. The test substance was determined to have a hydrolysis half-life of approximately 228 hr (9.5 days) over a pH range of 4 - 9. The diol of the test substances was observed to be the primary hydrolysis product. It is anticipated that Neononanoic acid glycidyl ester will have a similar hydrolysis half-life and hydrolysis.
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