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EC number: 280-960-7 | CAS number: 83817-60-1
Boiling point
Administrative data
- Endpoint:
- boiling point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 13 Jul 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- GLP guideline study
Cross-referenceopen allclose all
- Reason / purpose for cross-reference:
- reference to same study
Reference
- Endpoint:
- melting point/freezing point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 13 Jul 2016
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- GLP guideline study
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 102 (Melting point / Melting Range)
- Version / remarks:
- adopted in 1995
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.1 (Melting / Freezing Temperature)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7200 (Melting Point / Melting Range)
- Version / remarks:
- adopted in 1998
- Qualifier:
- according to guideline
- Guideline:
- other: CIPAC MT 1: Freezing Point
- Version / remarks:
- adopted in 2009
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Hess. Ministerium für Umwelt, Energie, Landwirtschaft und Verbraucherschutz, Wiesbaden, Germany
- Type of method:
- differential scanning calorimetry
- Specific details on test material used for the study:
- - Appearance: Pale yellow solid
- Expiration date of the lot/batch: 2018-05-18 - Melting / freezing pt.:
- 128.5 °C
- Atm. press.:
- 1 001.4 hPa
A first endothermic effect could be detected in the temperature range of 120 - 140 °C (melting) and a second in the temperature range of 350 - 450 °C (boiling).
Table 1: Results of the DSC-measurements
No. |
Sample weight / mg |
Onset of Effect / °C |
Range of effect / °C |
Weight loss / mg |
Atmospheric pressure / hPa |
PN11389 |
12.22 |
128.30 380.34 |
120 - 140 (endo) 350 - 450 (endo) |
9.03 |
1001.4 |
PN11390 |
12.69 |
128.64 372.33 |
120 - 140 (endo) 350 - 450 (endo) |
9.36 |
1001.4 |
During the heating phase a distinct endothermic effect was observed in the temperature range of 120 - 140 °C, which can be assigned to the melting of the test item. As the onset temperatures in both tests do not deviate by more than 0.5 K from their mean value of 128.47 °C, this temperature can be used as melting point. The test item has a melting point of 128.5 °C.
- Reason / purpose for cross-reference:
- reference to same study
Reference
- Endpoint:
- appearance / physical state / colour
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 13 Jul 2016
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: Basic data given (comparable to guidelines/standards)
- Reason / purpose for cross-reference:
- reference to same study
- Reason / purpose for cross-reference:
- reference to same study
- Qualifier:
- no guideline required
- Principles of method if other than guideline:
- Visual inspection during melting point and boiling point measurement
- GLP compliance:
- no
- Specific details on test material used for the study:
- - Appearance: Pale yellow solid
- Expiration date of the lot/batch: 2018-05-18 - Physical state at 20°C and 1013 hPa:
- solid
- Form:
- solid
- Colour:
- Pale yellow
- Substance type:
- organic
The test item has a melting point of 128.5 °C at atmospheric pressure (1001 hPa) and a boiling range from 373 °C to 381 °C at atmospheric pressure (1013 hPa).
Therefore, at ambient conditions, the test item is solid.
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 016
- Report date:
- 2016
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 103 (Boiling Point)
- Version / remarks:
- adopted in 1995
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.2 (Boiling Temperature)
- Qualifier:
- according to guideline
- Guideline:
- EPA OPPTS 830.7220 (Boiling Point / Boiling Range)
- Version / remarks:
- adopted in 1996
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Hess. Ministerium für Umwelt, Energie, Landwirtschaft und Verbraucherschutz, Wiesbaden, Germany
- Type of method:
- differential scanning calorimetry
Test material
- Reference substance name:
- Ethyl 9-oxo-9H-thioxanthene-2-carboxylate
- EC Number:
- 280-960-7
- EC Name:
- Ethyl 9-oxo-9H-thioxanthene-2-carboxylate
- Cas Number:
- 83817-60-1
- Molecular formula:
- C16H12O3S
- IUPAC Name:
- ethyl 9-oxo-9H-thioxanthene-2-carboxylate
Constituent 1
- Specific details on test material used for the study:
- - Appearance: Pale yellow solid
- Expiration date of the lot/batch: 2018-05-18
Results and discussion
Boiling point
- Boiling pt.:
- >= 373 - <= 381 °C
- Atm. press.:
- 1 013 hPa
Any other information on results incl. tables
A first endothermic effect could be detected in the temperature range of 120 - 140 °C (melting) and a second in the temperature range of 350 - 450 °C (boiling).
Table 1: Results of the DSC-measurements
No. |
Sample weight / mg |
Onset of Effect / °C |
Range of effect / °C |
Weight loss / mg |
Atmospheric pressure / hPa |
PN11389 |
12.22 |
128.30 380.34 |
120 - 140 (endo) 350 - 450 (endo) |
9.03 |
1001.4 |
PN11390 |
12.69 |
128.64 372.33 |
120 - 140 (endo) 350 - 450 (endo) |
9.36 |
1001.4 |
The test item showed a second endothermic signal in the temperature range of 350 - 450 °C that can be assigned to the boiling of the test item.
For the correction of the boiling temperature to standard pressure the test item was assigned to chemical group 3 (e.g. methyl benzoate). A correction value φ = 5.6 was used for the temperature range from 370 °C to 380 °C.
The lowest measured onset temperature is corrected to the standard pressure to be 372.92 °C and the highest onset temperature to be 380.93 °C. As the corrected onset temperatures in both tests deviate by more than 0.5 K from their mean value of 376.93 °C, the test item has a boiling range from 373 °C to 381 °C.
Applicant's summary and conclusion
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