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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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.
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EC number: 465-100-2 | CAS number: -
Flash point
Some information in this page has been claimed confidential.
Administrative data
- Endpoint:
- flash point
- Data waiving:
- study scientifically not necessary / other information available
- Justification for data waiving:
- the study does not need to be conducted because the flash point is only relevant to liquids and low melting point solids
Cross-reference
- Reason / purpose for cross-reference:
- data waiving: supporting information
Reference
- Endpoint:
- melting point/freezing point
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- supporting study
- Study period:
- 2005
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Remarks:
- Atom/fragment contribution method using the software MPBPWIN Version v1.41©2000, U.S. Environmental Protection Agency.
- Qualifier:
- according to guideline
- Guideline:
- other: Calculation using the QSAR programme MPBPWIN v1.41 2000 of the US EPA.
- Principles of method if other than guideline:
- The melting point of "STI571 F8" was estimated by an atom/fragment contribution method
using the software MPBPWIN Version v1.41©2000, provided by the U.S. Environmental
Protection Agency. This program (MPBPWIN) estimates melting point of the test substance. MPBPWIN requires only a chemical structure to make these predictions. Structures are entered into MPBPWIN by SMILES (Simplified Molecular Input Line Entry System) notations.
The melting point is estimated by two different methods; the adapted Joback Group
Contribution Method, and the Gold and Ogle method which uses the equation
Tm = 0.5839 Tb, where Tm is the melting point in Kelvin and Tb is the boiling point in Kelvin,
calculated with the adapted Stein and Brown method.
The program calculates a weighted mean value of the methods. - GLP compliance:
- yes (incl. QA statement)
- Type of method:
- other: Atom/fragment contribution method using the software MPBPWIN Version v1.41©2000, U.S. Environmental Protection Agency.
- Specific details on test material used for the study:
- na - calculated value based on SMILES notation.
- Melting / freezing pt.:
- 349.8 °C
Data source
Materials and methods
- Type of method:
- closed cup
Results and discussion
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.
