Registration Dossier
Registration Dossier
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EC number: 451-330-0 | CAS number: -
Boiling point
Administrative data
- Endpoint:
- boiling point
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- From 9 January 2004 to 22 January 2004
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 004
- Report date:
- 2004
Materials and methods
Test guidelineopen allclose all
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 103 (Boiling Point)
- Version / remarks:
- and 104 (Dynamic method)
- Deviations:
- no
- Qualifier:
- according to guideline
- Guideline:
- EU Method A.2 (Boiling Temperature)
- Version / remarks:
- and A.4.
- Deviations:
- no
- GLP compliance:
- yes (incl. QA statement)
- Type of method:
- dynamic method
Test material
- Reference substance name:
- (2E,5Z)-5,6,7-trimethylocta-2,5-dien-4-one
- Cas Number:
- 357650-26-1
- Molecular formula:
- C11H18O
- IUPAC Name:
- (2E,5Z)-5,6,7-trimethylocta-2,5-dien-4-one
- Reference substance name:
- (2E,5E)-5,6,7-trimethylocta-2,5-dien-4-one
- Cas Number:
- 847144-75-6
- Molecular formula:
- C11H18O
- IUPAC Name:
- (2E,5E)-5,6,7-trimethylocta-2,5-dien-4-one
- Test material form:
- liquid
Constituent 1
Constituent 2
- Specific details on test material used for the study:
- Aspect: Pale yellow liquid
Purity: 96.7% (sum of two main peaks)
Expiration date: September 12, 2004
Results and discussion
Boiling point
- Key result
- Boiling pt.:
- ca. 474 K
- Atm. press.:
- ca. 1 013 hPa
Any other information on results incl. tables
| Pressure (hPa) | Temperature 1 (K) | Temperature 2 (K) |
| 10.2 | 362 | 362.5 |
| 20.4 | 373 | 374 |
| 40.0 | 387.5 | 386 |
| 79.9 | 402 | 401 |
| 120.0 | 413 | 412 |
| 160.0 | 422.5 | 422.5 |
Temperature 1: measured when increasing the pressure
Temperature 2: measured when decreasing the pressure
Means of temperature 1 and 2 were calculated, results were reported on a log P versus 1/(T-43) diagram (Antoine's equation: log P = A + B/(C + T) with C = -43 according to Cox, where T is in Kelvin)
The linear regression were calculated (least square method):
Log P = A + B * 1000 / (T-43)
A = 8.62577, B = -2.42171 (R^2= 0.99603, coefficient of determination).
This relationship was used to calculate by extrapolation the normal boiling point, i.e. the boiling temperature corresponding to 1013 hPa.
Applicant's summary and conclusion
- Conclusions:
- The boiling temperature is 474 K (201°C)
The 95% confidence limits are 465 - 483 K (192 °C - 210 °C) - Executive summary:
The vapour pressure curve as a function of temperature was determined with GR-85 -2517 according to the OECD method No. 104 (dynamic method) and used to extrapolate the normal boiling temperature.
Normal boiling temperature of GR-85 -2517 : 474 K (201°C)
The 95% confidence limits are: 465 - 483 K (192°C - 210 °C)
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