Registration Dossier
Registration Dossier
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EC number: 247-878-3 | CAS number: 26651-96-7
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- other information
- Study period:
- April 07, 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:
- SOFTWARE USED
MPBPWIN v1.43 module of the US Environmental Protection Agency EPI Suite 4.1 was used to calculate the vapour pressure of the main constituents of Pseudoisoraldeine A
This software uses the Antoine method, the Modified Grain method and the Mackay method to calculate the vapour pressure.
The software automatically selects the best applicable method(s), the Modified Grain method in the present case.
For further details see the attached QSAR report.
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 017
- Report date:
- 2017
Materials and methods
Test material
- Reference substance name:
- 7,11-dimethyldodeca-4,6,10-trien-3-one
- EC Number:
- 247-878-3
- EC Name:
- 7,11-dimethyldodeca-4,6,10-trien-3-one
- Cas Number:
- 26651-96-7
- Molecular formula:
- C14H22O
- IUPAC Name:
- (4E,6E)-7,11-dimethyldodeca-4,6,10-trien-3-one
- Reference substance name:
- 3,6,10-trimethylundeca-3,5,9-trien-2-one
- EC Number:
- 214-245-8
- EC Name:
- 3,6,10-trimethylundeca-3,5,9-trien-2-one
- Cas Number:
- 1117-41-5
- Molecular formula:
- C14H22O
- IUPAC Name:
- 3,6,10-trimethylundeca-3,5,9-trien-2-one
- Test material form:
- liquid
Constituent 1
impurity 1
Results and discussion
Vapour pressureopen allclose all
- Key result
- Test no.:
- #1
- Temp.:
- 20 °C
- Vapour pressure:
- 0.74 Pa
- Test no.:
- #2
- Temp.:
- 25 °C
- Vapour pressure:
- 1.16 Pa
Applicant's summary and conclusion
- Conclusions:
- The vapour pressure of the test material Pseudoisoraldeine A was determined to be 0.74 Pa at 20 °C and 1.16 Pa at 25 °C using QSAR.
- Executive summary:
The vapour pressure of the test material Pseudoisoraldeine A was determined to be 0.74 Pa at 20 °C and 1.16 Pa at 25 °C using a QSAR method.
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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