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EC number: 610-159-3 | CAS number: 439685-73-1
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- December 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- 1. SOFTWAREQSAR Toolbox 3.3.5.172. MODEL (incl. version number)Vapor Pressure (Modified Grain Method) (EPISUITE)3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODELCC(=O)CC1C(O)C(O)C(O)CO14. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL No formal QMRF is available for this model; however in the user guide, embedded in the stand-alone software, some data are available. See details in the attached document.5. APPLICABILITY DOMAINNo formal QMRF is available for this model; however in the user guide, embedded in the stand-alone software, some data are available. See details in the attached document.6. ADEQUACY OF THE RESULT No formal QMRF is available for this model; however in the user guide, embedded in the stand-alone software, some data are available. See details in the attached document.
Data source
Reference
- Reference Type:
- other company data
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guideline
- Qualifier:
- no guideline required
- GLP compliance:
- not specified
Test material
- Reference substance name:
- Sage, Salvia sclarea, ext.
- EC Number:
- 283-911-8
- EC Name:
- Sage, Salvia sclarea, ext.
- Cas Number:
- 84775-83-7
- Molecular formula:
- not relevant for a UVCB substance
- IUPAC Name:
- Essential oil of Salvia sclarea (Labiatae) obtained from leaves, flowers and twigs by steam distillation
- Details on test material:
- SMILES:CC(=O)CC1C(O)C(O)C(O)CO1
Constituent 1
Results and discussion
Vapour pressureopen allclose all
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0 mm Hg
- Key result
- Temp.:
- 25 °C
- Vapour pressure:
- 0 Pa
Applicant's summary and conclusion
- Conclusions:
- The vapour pressure of the substance is estimated to 2.07E-07 mmHg (0.0276 mPa) at 25°C.
- Executive summary:
The Vapour Pressure at 25°C of the target chemical (D-gulo-2-Octulose, 4,8-anhydro-1,3-dideoxy-) is predicted by QSAR "Vapor Pressure (Modified Grain Method) (EPISUITE)".
Taking into account the structure of the substance, the Vapour Pressure is equal to 2.07E-07 mmHg (0.0276 mPa) at 25°C.
In view of the Molecular weight of the substance and of the present fragment groups, the substance is considered as being inside the Applicability domain of the QSAR model.
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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