Registration Dossier
Registration Dossier
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EC number: 205-154-4 | CAS number: 134-72-5
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: QSAR estimation. Model software freely available. Adequate for assessment.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Reference
- Reference Type:
- other: QSAR
- Title:
- Estimation Program Interface (EPI) Suite (MPBPVP version 1.43)
- Author:
- Environmental protection agency (US)
- Bibliographic source:
- US EPA. 2014. Estimation Programs Interface Suite™ for Microsoft® Windows, v 4.11. United States Environmental Protection Agency, Washington, DC, USA.
Materials and methods
- Principles of method if other than guideline:
- MPBPVP: Melting point, boiling point, and vapour pressure of organic chemicals are estimated using a combination of techniques.
- GLP compliance:
- no
- Type of method:
- other: model calculation
Test material
- Reference substance name:
- Bis[[R-(R*,S*)]-β-hydroxy-α-methylphenethyl)methylammonium] sulphate
- EC Number:
- 205-154-4
- EC Name:
- Bis[[R-(R*,S*)]-β-hydroxy-α-methylphenethyl)methylammonium] sulphate
- Cas Number:
- 134-72-5
- Molecular formula:
- C10H15NO.1/2H2O4S
- IUPAC Name:
- bis([(1R,2S)-1-hydroxy-1-phenylpropan-2-yl](methyl)azanium) sulfate
- Details on test material:
- - Name of test material (as cited in study report): Benzenemethanol, à-[1-(methylamino)ethyl]-, [R-(R*,S*)]-, sulfate (2:1) (salt)
- Smiles notation: CNC(C)C(O)c1ccccc1
Constituent 1
Results and discussion
Vapour pressure
- Temp.:
- 25 °C
- Vapour pressure:
- 1.43 Pa
Applicant's summary and conclusion
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.
