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Diss Factsheets
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EC number: 211-536-1 | CAS number: 659-70-1
- 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
Link to relevant study record(s)
- Endpoint:
- hydrolysis
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Guideline:
- other: REACH guidance on QSARs R.6
- GLP compliance:
- no
- Remarks:
- QSAR calculation
- Specific details on test material used for the study:
- SMILES: O=C(OCCC(C)C)CC(C)C (used for model prediction).
InChI: InChI=1/C10H20O2/c1-8(2)5-6-12-10(11)7-9(3)4/h8-9H,5-7H2,1-4H3 (not used in the model prediction). - Estimation method (if used):
- Model version: EpiSuite v4.11 (November 2012), HYDROWIN v2.00.
HYDROWIN provides predictions at pH 7 and 8. To provide values for pH 4, 7 and 9 a subsequent calculation of the model was applied. The calculation formulas are described in detail in the QMPF and QRPF documents. - Transformation products:
- not specified
- pH:
- 4
- DT50:
- 15 360 yr
- Remarks on result:
- other: QSAR predicted half-life
- pH:
- 7
- DT50:
- 15.36 yr
- Remarks on result:
- other: QSAR predicted half-life
- pH:
- 9
- DT50:
- 56 d
- Remarks on result:
- other: QSAR predicted half-life
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- The hydrolytic activity of 3-Methylbutyl 3-methylbutanoate was predicted with EpiSuite v4.11, HYDROWIN v2.00 at pH 4, 7 and 9. Based on the calculation, the half-life was 15360 years at pH 4, 15.36 years at pH 7, and was 56 days at pH 9. This indicates that in alkaline environmental conditions the substance will be more hydrolytically degraded than in acidic conditions.
Reference
Description of key information
The hydrolytic activity of the test item was predicted with EpiSuite v4.11, HYDROWIN v2.00 at pH 4, 7 and 9. Based on the calculation, the half-life was 15360 years at pH 4, 15.36 years at pH 7, and was 56 days at pH 9. This indicates that in alkaline environmental conditions the substance will be more hydrolytically degraded than in acidic conditions.
Key value for chemical safety assessment
- Half-life for hydrolysis:
- 15.36 yr
Additional information
pH 4: 15360 years
pH 7: 15.360 years
pH 9: 56 days
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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