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Diss Factsheets
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EC number: 946-882-9 | 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
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- Remarks:
- estimated by calculation
- Type of information:
- (Q)SAR
- Remarks:
- MPBPVP by EPI Suite v4.1 software
- Adequacy of study:
- weight of evidence
- Study period:
- Nov 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Remarks:
- MPBPVP by EPI Suite v4.1 software
- Justification for type of information:
- No experimental data available. The validity of the model has been evaluated in accordance with the OECD validation principles (OECD, 2004; Worth et al, 2005; OECD, 2007). See attached report.
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs: Chapter R.6. QSARs and grouping of chemicals
- Version / remarks:
- calculation method
- Deviations:
- no
- Principles of method if other than guideline:
- QSAR: Vapor Pressure estimations performed by MPBPWIN are based on the calculation method of Grain, which uses boiling point (862°C at 1013 hPa) for the calculation.
- GLP compliance:
- no
- Remarks:
- computer model
- Type of method:
- other: calculation
- Specific details on test material used for the study:
- 3,5,5 trimethylhexanoic acid hexaesters of Dipentaerythritol
SMILE CC(CC(C)(C)C)CC(=O)OCC(COC(=O)CC(CC(C)(C)C)C)(COC(=O)CC(CC(C)(C)C)C)COCC(COC(=O)CC(CC(C)(C)C)C)(COC(=O)CC(CC(C)(C)C)C)COC(=O)CC(CC(C)(C)C)C
MOL FOR: C64 H118 O13
MOL WT : 1095.65 - Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- not measured/tested
- Conclusions:
- Estimated vapour pressure is close to 0 Pa (Modified Grain Method)
Vapour pressure of the susbtance is considered insignificant - Executive summary:
Estimated vapour pressure is close to 0 Pa using modified grain method (EPI Suite v4.1 software)
Vapour pressure of the substance is considered insignificant
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2017
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
- Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs: Chapter R.6. QSARs and grouping of chemicals
- Version / remarks:
- calculation method
- Deviations:
- no
- Principles of method if other than guideline:
- QSAR: Vapor Pressure estimations performed by MPBPWIN are based on the calculation method of Grain, which uses boiling point (862°C at 1013 hPa) for the calculation.
- GLP compliance:
- no
- Type of method:
- other: calculation
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
- Remarks on result:
- not measured/tested
- Conclusions:
- Estimated vapour pressure is close to 0 Pa using modified grain method (EPI Suite v4.1 software)
Vapour pressure of the susbtance is considered insignificant - Executive summary:
Estimated vapour pressure is close to 0 Pa using modified grain method (EPI Suite v4.1 software)
Vapour pressure of the substance is considered insignificant
Referenceopen allclose all
Description of key information
Modeling was conducted to evaluate the vapor pressure of one of the main constituents of the test substance, 3,5,5 trimethylhexanoic acid hexaesters of dipentaerythritol, according to EPI SUITE (MPBPWIN). It is expected that the substance has a negligible vapour pressure
Modeling was conducted to evaluate the vapour pressure of a second main constituent of the test substance, hexaesters of dipentaerythritol (with one molecule valeric acid and five molecules 3,5,5 trimethylhexanoic acid), according to EPI SUITE (MPBPWIN). It is expected that the substance has a negligible vapour pressure.
Key value for chemical safety assessment
- Vapour pressure:
- 0 Pa
- at the temperature of:
- 20 °C
Additional information
Based on QSAR estimations, the test substance has a vapour pressure close to 0 Pa.
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.