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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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: 217-468-9 | CAS number: 1863-63-4
Melting point / freezing point
Administrative data
Link to relevant study record(s)
- Endpoint:
- melting point/freezing point
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- 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:
- 1. SOFTWARE
Epi Web 4.11
2. MODEL (incl. version number)
MPBPVP v1.43
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
N(H)(H)(H)(H)OC(=O)c1ccccc1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
well established program/model released by US governmental department
5. APPLICABILITY DOMAIN
different Ammonium salts and Benzoate salts are used in training set
6. ADEQUACY OF THE RESULT
The calculated results are comparable to the sublimation temperature reported in handbooks. - Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR estimation using well established software tool
- GLP compliance:
- no
- Specific details on test material used for the study:
- not applicable
- Melting / freezing pt.:
- ca. 154 °C
- Remarks on result:
- other: calculated result
- Melting / freezing pt.:
- ca. 194.5 °C
- Remarks on result:
- other: experimental database entry within the software, no further reference available
- Conclusions:
- The calculated Melting point of the substance is 154 °C.
- Endpoint:
- melting point/freezing point
- Type of information:
- other: handbook data
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- handbook data, no further information available
- GLP compliance:
- no
- Specific details on test material used for the study:
- not applicable
- Decomposition:
- yes
- Decomp. temp.:
- ca. 198 °C
- Sublimation:
- yes
- Subl. temp.:
- ca. 160 °C
- Conclusions:
- Ammonium Benzoate sublimes at 160 °C and decomposes at 198 °C.
Referenceopen allclose all
Although the output of the program is titled as Melting point, the value is close to the reported sublimation temperature in handbooks
and can be regarded as temperature of phase transition from solid to liquid/gaseous.
In addition, the softwares output includes a Melting point from experimental database, but no reference is given. This value is within the range of the reported decomposition temperature of the substance. However, no further information on the behaviour of the substance is stated.
Description of key information
The substance decomposes at 198 °C (stated as melting point) and sublimes at 160 °C.
This information is taken from Handbook data and supported by QSAR calculation.
Key value for chemical safety assessment
- Melting / freezing point at 101 325 Pa:
- 160 °C
Additional information
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.
