Registration Dossier
Registration Dossier
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EC number: 206-126-4 | CAS number: 302-72-7
Melting point / freezing point
Administrative data
Link to relevant study record(s)
- Endpoint:
- melting point/freezing point
- Type of information:
- other: data from handbook
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: peer-reviewed handbook
- Qualifier:
- according to guideline
- Guideline:
- other: not specified
- Principles of method if other than guideline:
- The information does not come from a test report and the minimum fields can not be filled in.
- GLP compliance:
- not specified
- Type of method:
- other: data from handbook
- Melting / freezing pt.:
- 300 °C
- Atm. press.:
- 101.3 kPa
- Decomposition:
- no
- Sublimation:
- yes
- Subl. temp.:
- 250 °C
- Conclusions:
- melting point: 300 °C
- Executive summary:
According to the CRC Handbook of Chemistry and Physics (D.R. Lide) the melting point of DL-Alanine is 300 °C. Sublimation takes place at 250 °C.
No further details are reported in the handbooks on the determination. Reported value is assumed to have been determined at STP (20°C, 101.3 kPa).
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: authoritative handbook
- Principles of method if other than guideline:
- simple handbook data, therefore no test guideline available
- GLP compliance:
- no
- Type of method:
- other: simple handbook data, therefore no test guideline available
- Key result
- Melting / freezing pt.:
- 289 °C
- Decomposition:
- no
- Remarks on result:
- other: no pressure stated, no information on sublilmation
- Conclusions:
- According to Handbook of Aqueous Solubility Data D,L-alanine has a melting point of 289 °C.
- Executive summary:
According to Handbook of Aqueous Solubility Data D,L-alanine has a melting point of 289 °C.
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: authoritative handbook
- Principles of method if other than guideline:
- simple handbook data, therefore no test guideline available
- GLP compliance:
- no
- Type of method:
- other: simple handbook data, therefore no test guideline available
- Key result
- Melting / freezing pt.:
- >= 264 - <= 269 °C
- Sublimation:
- yes
- Subl. temp.:
- > 200 °C
- Remarks on result:
- other: decomposition not stated, pressure not stated, melting point depends on heating rate
- Conclusions:
- Depending on heating rate, the melting point of D,L-alanine is stated in Lange's Handbook of Chemistry, 15th Edition with 264-269 °C. The substance submilate above 200 °C.
- Executive summary:
Depending on heating rate, the melting point of D,L-alanine is stated in Lange's Handbook of Chemistry, 15th Edition with 264-269 °C. The substance submilate above 200 °C.
- Endpoint:
- melting point/freezing point
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2018-04-19
- 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
EPIWIN v4.1
2. MODEL (incl. version number)
MPBPWIN v1.43
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
CC(N)C(O)=O
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
please refer to QMRF in attached justification
5. APPLICABILITY DOMAIN
please refer to QPRF in attached justification - Guideline:
- other: ECHA Guidance R.6
- Specific details on test material used for the study:
- CC(N)C(O)=O
- Melting / freezing pt.:
- 244 °C
- Conclusions:
- melting point = 244 °C
- Executive summary:
The melting point of DL-Alanine (CAS 307 -72 -7) was predicted with the QSAR model MPBPWIN 1.43. It is predicted to be 244 °C
Referenceopen allclose all
Description of key information
Melting point of D,L-alanine is stated in different handbooks. Described experimental melting points are all in range between 260 - 300 °C. This is supported by calculation (244 °C), which is similar to the experimental data. It is also stated, that D,L alanine sublimates above 200 °C or at 250 °C. This lead to difficulties in measuring an exact melting point.
For CSA the mean of the experimental data is used: 281 °C
Key value for chemical safety assessment
- Melting / freezing point at 101 325 Pa:
- 281 °C
Additional information
CRC, Lide:
According to the CRC Handbook of Chemistry and Physics (D.R. Lide) the melting point of DL-Alanine is 300 °C. Sublimation takes place at 250 °C.
No further details are reported in the handbooks on the determination. Reported value is assumed to have been determined at STP (20°C, 101.3 kPa).
LHoC, Lange:
Depending on heating rate, the melting point of D,L-alanine is stated in Lange's Handbook of Chemistry, 15th Edition with 264-269 °C. The substance sublimate above 200 °C.
HaSd, Yalkowsky:
According to Handbook of Aqueous Solubility Data D,L-alanine has a melting point of 289 °C.
QSAR - MPBPWin v1.43
The melting point of DL-Alanine (CAS 307 -72 -7) was predicted with the QSAR model MPBPWIN 1.43. It is predicted to be 244 °C
mean of experimental data:
(300 + 264 + 269 + 289) °C / 4 = 281 °C
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