Registration Dossier
Registration Dossier
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EC number: 946-901-0 | CAS number: -
Boiling point
Administrative data
Link to relevant study record(s)
- Endpoint:
- boiling point
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2012
- 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 limited documentation / justification
- Justification for type of information:
- Data comes from an online compilation using secondary data sources. There is no experimental study reference, however data provided from validated QSAR.
- Qualifier:
- according to guideline
- Guideline:
- other: EPI suite
- Version / remarks:
- v4.11
- Principles of method if other than guideline:
- QSAR EPI suite
- Boiling pt.:
- 231.23 °C
- Atm. press.:
- 1 atm
- Remarks on result:
- other: atm pressure is presumed.
- Conclusions:
- The boiling point of lavandulyle acetate is about 231°C.
- Endpoint:
- boiling point
- Type of information:
- other: bibliography
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- Data comes from an online compilation using secondary data sources. There is no experimental study reference, however data is cited in the database as peer reviewed.
- Qualifier:
- according to guideline
- Guideline:
- other: [Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-338] **PEER REVIEWED**
- Principles of method if other than guideline:
- principles of method are not described in the HSDB but is **PEER REVIEWED** data.
- Boiling pt.:
- ca. 221 °C
- Atm. press.:
- 1 atm
- Remarks on result:
- other: atm pressure is presumed
- Conclusions:
- The boiling point of linalyle acetate is 221°C.
- Endpoint:
- boiling point
- Type of information:
- other: bibliography
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- Data comes from an online compilation using secondary data sources. There is no experimental study reference, however data is cited in the database as peer reviewed.
- Qualifier:
- according to guideline
- Guideline:
- other: [Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. John Wiley & Sons, Inc. Hoboken, NJ 2016., p. 196] **PEER REVIEWED**
- Principles of method if other than guideline:
- principles of method are not described in the HSDB but is **PEER REVIEWED** data.
- GLP compliance:
- no
- Boiling pt.:
- 212 °C
- Atm. press.:
- 1 atm
- Remarks on result:
- other: atm.pressure is presumed
- Conclusions:
- The boiling point of borneol is 221°C.
- Endpoint:
- boiling point
- Type of information:
- other: bibliography
- Adequacy of study:
- weight of evidence
- Study period:
- 2012
- 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 limited documentation / justification
- Justification for type of information:
- Data comes from an online compilation using secondary data sources. There is no experimental study reference, however data provided from validated QSAR.
- Qualifier:
- according to guideline
- Guideline:
- other: EPI suite
- Version / remarks:
- v4.11
- Principles of method if other than guideline:
- EPI suite V4.11
- Boiling pt.:
- 256.8 °C
- Atm. press.:
- 1 atm
- Conclusions:
- The boiling point of caryophyllene is 256.80°C.
- Endpoint:
- boiling point
- Type of information:
- other: QSAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2012
- 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 limited documentation / justification
- Justification for type of information:
- Data comes from an online compilation using secondary data sources. There is no experimental study reference, however data provided from validated QSAR.
- Qualifier:
- according to guideline
- Guideline:
- other: EPI suite
- Version / remarks:
- v4.11
- Principles of method if other than guideline:
- EPI suite
- Boiling pt.:
- 221.7 °C
- Atm. press.:
- 1 atm
- Remarks on result:
- other: atm. pressure is presumed
- Conclusions:
- The boiling point of lavandulol is 221.70°C.
- Endpoint:
- boiling point
- Type of information:
- other: bibliography
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- Data comes from an online compilation using secondary data sources. There is no experimental study reference, however data is cited in the database as peer reviewed.
- Qualifier:
- according to guideline
- Guideline:
- other: [Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95th Edition. CRC Press LLC, Boca Raton: FL 2014-2015, p. 3-338] **PEER REVIEWED**
- Principles of method if other than guideline:
- principles of method are not described in the HSDB but is **PEER REVIEWED** data.
- GLP compliance:
- no
- Boiling pt.:
- 198 °C
- Atm. press.:
- 1 atm
- Remarks on result:
- other: atm. pressure is presumed
- Conclusions:
- The boiling point of linalool is 198°C.
Referenceopen allclose all
Description of key information
Literature provided data for the 6 major components representing about 86% of the UVCB substance:
| Constituent names | CAS nr | Boiling point | source |
| acetate linalyle | 115 -95 -7 | 221°C | HSDB |
| borneol | 507 -70 -0 | 221°C | HSDB |
| acetate lavandulyle | 25905-14-0 | 231°C | EPI suite v4.11 |
| linalol | 78-70-6 | 198°C | HSDB |
| caryophyllene | 87-44-5 | 257°C | EPI suite v4.11 |
| lavandulol | 58461-27-1 | 222°C | EPI suite v4.11 |
Key value for chemical safety assessment
- Boiling point at 101 325 Pa:
- 198 °C
Additional information
This key value is the lowest value. The boiling point of the UVCB substance is between 198°C and 257°C.
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