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Boiling point

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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:
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:
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:
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:
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:
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:
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.

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.