Registration Dossier
Registration Dossier
Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.
The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
EC number: 855-895-8 | CAS number: 212908-67-3
Vapour pressure
Administrative data
- Endpoint:
- vapour pressure
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Study period:
- 11. Sept. 2019
- 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:
- For a detailed justification please refer to the attached justification
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 019
- Report date:
- 2019
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: Reach Guidance on QSARs R.6
- Principles of method if other than guideline:
- QSAR estimation using ACD PERCEPTA software, Release ACD/Percepta 14.3.0 (Build 3044). Identifier used for input for the estimation are SMILES and CAS No.
- GLP compliance:
- no
Test material
- Reference substance name:
- 2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]benzamide
- EC Number:
- 855-895-8
- Cas Number:
- 212908-67-3
- Molecular formula:
- C27H47NO5
- IUPAC Name:
- 2-hydroxy-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]benzamide
- Details on test material:
- SMILES: O=C(N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC)C1=CC=CC=C1O
Constituent 1
- Specific details on test material used for the study:
- used for calculation:
SMILES: O=C(N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC)C1=CC=CC=C1O
Results and discussion
Vapour pressure
- Key result
- Temp.:
- 20 °C
- Vapour pressure:
- < 0.133 Pa
- Remarks on result:
- other: QSAR predicted value
Applicant's summary and conclusion
- Conclusions:
- QSAR with ACD PERCEPTA software, ACD/Percepta 14.3.0 (Build 3044) predicts a vapour pressure of < 0.133 Pa at 20 °C.
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.
