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Diss Factsheets
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EC number: 944-982-7 | 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
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- June 01, 2017
- 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
- Justification for type of information:
- The MPBPWIN v1.43 module of the US Environmental Protection Agency EPI Suite 4.1 was used to calculate the vapour pressure of the main constituent of Ethyl Cyclopentylidene Acetoacetate. A melting point of -50°C was entered as a user entry (Givaudan Study no. 16-E385).
This software uses the Antoine method, the Modified Grain method and the Mackay method to calculate the vapour pressure. These QSAR methods are proposed for that purpose in the Guidance on Information Requirements and Chemical Safety Assessment, Chapter R.7a: Endpoint specific guidance, Version 5.0, December 2016, when testing is not possible. The software automatically selects the best applicable method(s), the mean of Antoine and Grain methods in the present case. Temperatures of 20°C and 25°C were manually entered for calculation.
Data source
Reference
- Reference Type:
- other:
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: MPBPWIN
- Version / remarks:
- MPBPWIN v1.43module of the US Environmental Protection Agency Epi Suite 4.1
- GLP compliance:
- no
Test material
- Reference substance name:
- ethyl 2-cyclopentylidene-3-oxobutanoate
- EC Number:
- 812-640-5
- Cas Number:
- 95296-11-0
- Molecular formula:
- C11H16O3
- IUPAC Name:
- ethyl 2-cyclopentylidene-3-oxobutanoate
- Reference substance name:
- ethyl 2-(cyclopent-1-en-1-yl)-3-oxobutanoate
- Molecular formula:
- C11H16O3
- IUPAC Name:
- ethyl 2-(cyclopent-1-en-1-yl)-3-oxobutanoate
Constituent 1
Constituent 2
Results and discussion
Vapour pressureopen allclose all
- Key result
- Test no.:
- #1
- Temp.:
- 20 °C
- Vapour pressure:
- 0.66 Pa
- Test no.:
- #2
- Temp.:
- 25 °C
- Vapour pressure:
- 1.08 Pa
Applicant's summary and conclusion
- Conclusions:
- The MPBPWIN v1.43 module of the US Environmental Protection Agency EPI Suite 4.1 was used to calculate the vapour pressure of the main constituent of Ethyl Cyclopentylidene Acetoacetate. A melting point of -50°C was entered as a user entry (Givaudan Study no. 16-E385).
This software uses the Antoine method, the Modified Grain method and the Mackay method to calculate the vapour pressure. These QSAR methods are proposed for that purpose in the Guidance on Information Requirements and Chemical Safety Assessment, Chapter R.7a: Endpoint specific guidance, Version 5.0, December 2016, when testing is not possible. The software automatically selects the best applicable method(s), the mean of Antoine and Grain methods in the present case. Temperatures of 20°C and 25°C were manually entered for calculation. The results were:
Vapour pressure (20°C) = 0.66 Pa (mean of Antoine and Grain methods);
Vapour pressure (25°C) = 1.08 Pa (mean of Antoine and Grain methods); - Executive summary:
The vapour pressure of the Ethyl Cyclopentylidene Acetoacetate has been calculated to be 0.66 Pa at 20.0°C using a QSAR method ( MPBPWIN v1.43 module of the US Environmental Protection Agency EPI Suite 4.1).
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