Registration Dossier
Registration Dossier
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EC number: 944-982-7 | CAS number: -
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).
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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