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EC number: 475-900-3 | CAS number: -
Boiling point
Administrative data
Link to relevant study record(s)
- Endpoint:
- boiling point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 29 Aug. to 03 Sept. 2007
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Remarks:
- The study was conducted according to an internationally recognised method, and under GLP. The substance is adequately characterised with its purity. Therefore full validation applies.
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 103 (Boiling Point)
- Version / remarks:
- July 27, 1995
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.2 (Boiling Temperature)
- Version / remarks:
- Directive 92/69/EEC
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Certificate from 2007-05-16
- Type of method:
- differential scanning calorimetry
- Key result
- Boiling pt.:
- 159 °C
- Atm. press.:
- 101.8 kPa
- Decomposition:
- no
- Executive summary:
The boiling point of the test substance was measured, under GLP, according to OECD 103 / EU A.2 guidelines, DSC method, under nitrogen atmosphere. Two runs were performed; in both, the endotherm was observed at the onset temperature of 159°C, under atmospheric pressure of 101.8 kPa.
- Endpoint:
- boiling point
- Type of information:
- experimental study
- Adequacy of study:
- supporting study
- Study period:
- 30 May - 28 June 2005
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study with acceptable restrictions
- Remarks:
- The study was conducted according to an internationally recognised method, and under GLP. However, the test item identification is incomplete (unspecified cis-trans isomery, therefore identified under the generic CAS 17129-06-5). Therefore validation applies with restrictions.
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.2 (Boiling Temperature)
- Version / remarks:
- Directive 92/69/EEC
- GLP compliance:
- yes (incl. QA statement)
- Remarks:
- Certificate from 2004-12-22
- Type of method:
- distillation method
- Boiling pt.:
- 158 °C
- Atm. press.:
- 101.555 kPa
- Executive summary:
The boiling point of the test substance was measured, under GLP, according to EU A.2 guideline, distillation method. Two runs were performed; in both, the distillation temperature was measured as 158°C, under atmospheric pressure of 101.555 kPa.
Referenceopen allclose all
Preliminary test
The weight of the sample decreased significantly right from the start of the experiment (25°C). At 92°C, the sample weight had decreased by 25%. After the experiment, no test substance was observed in the sample pan.
Main study
- First experiment: An endothermic peak was observed between 125 and 180°C. This effect was attributed to boiling of the test subtance. The extrapolated onset temperature of this peak was 159°C. After the experiment, no test substance was observed in the sample pan, which indicated that the test substance had evaporated.
- Second experiment: The boiling behaviour as observed during the first experiment, i.e. an endothermic peak between 125 and 180°C, was confirmed by the second experiment. The extrapolated onset temperature of this peak was 159°C. After the experiment, no test substance was observed in the sample pan, which indicated that the test substance had evaporated.
Preliminary test
In a micro-distillation apparatus, a small amount of the test substance (5.31 g) was heated, by means of an oil bath, in a 25-mL bottle at atmospheric pressure (102.125 kPa). The test substance was heated by means of an oil bath to a temperature of approximately 477.8 K (204.7°C). At this temperature, the test substance started to fluctuate. The temperature in the 25-mL bottle was 311.7 K (38.5°C) at this moment. At an oil temperature of 486.2 K (213.0°C) and a distillation temperature of 431.2 K (158.0°C) the test substance distilled. In the mean time, the color of the test substance became darker yellow. The amount of distillate (light yellow, transparent) was 4.54 g. The amount of the residue (dark orange) was 0.53 g.
Main test 1
In a micro-distillation apparatus, a small amount of the test substance (5.10 g) was heated in a 25-mL bottle at atmospheric pressure (101.555 kPa).
The test substance was heated by means of an oil bath to a temperature of approximately 455.6 K (182.4°C). At this temperature, the test substance started to fluctuate. In the cooler, some condensate appeared at an oil temperature of 469.4 K (196.3°C) and a distillation temperature of 313.2 K (40.0°C). At an oil temperature of 473.6 K (200.4°C) and a distillation temperature of 431.2 K (158.0°C) the test substance distilled.
The amount of light yellow distillate was 4.59 g. The amount of the residue, which was coloured dark orange, was 0.34 g.
Main test 2
In a micro-distillation apparatus, a small amount of the test substance (4.72 g) was heated in a 25-mL bottle at atmospheric pressure (101.555 kPa).
The test substance was heated by means of an oil bath to a temperature of approximately 447.0 K (173.9°C). At this temperature, the test substance started to fluctuate. In the cooler, some condensate appeared at an oil temperature of 455.2 K (182.0°C) and a distillation temperature of 304.2 K (31.0°C). At an oil temperature of 471.8 K (198.7°C) and a distillation temperature of 431.2 K (158.0°C) the test substance distilled.
The amount of light yellow distillate was 4.33 g. The amount of the residue, which was coloured dark orange, was 0.33 g.
Description of key information
Boiling point = 159°C (under N2 inert atmosphere and 101.8 kPa).
Key value for chemical safety assessment
- Boiling point at 101 325 Pa:
- 159 °C
Additional information
Two experimental studies are available:
- The DSC measurement presented in Notox 2007 report, conducted according to OECD/EU guideline and GLP, was considered as fully reliable. The result was not corrected to normal atmospheric pressure, but the difference is expected to be negligible, so it is retained as key data.
- The distillation study, in TNO 2005 report, also conducted according to EU guideline and GLP, was assigned lower reliability, due to incomplete test item identification (i.e. unspecified cis-trans isomery), so included as supporting data. However, the result (158°C) is very consistent with the Notox value (159°C).
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