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Physical & Chemical properties

Boiling point

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Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2015
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 QSAR model. There is no experimental study reference, however data provide from validated model.
No study was conducted on the oil itself, as not relevant for an UVCB. Literature provided data for the twelve major components representing about 85.54%. Limonene content of the UVCB is about 4.53%
Qualifier:
according to guideline
Guideline:
other: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95 th Edition. CRC Press LLC, Boca Raton : Fl 2014-2015, p.3-338
Principles of method if other than guideline:
QSAR
GLP compliance:
not specified
Boiling pt.:
177.6 °C
Atm. press.:
1 atm
Conclusions:
The boiling point of limonene is 177.6°C at 1atm
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 QSAR model. There is no experimental study reference, however data provide from validated model.
No study was conducted on the oil itself, as not relevant for an UVCB. Literature provided data for the twelve major components representing about 85.54%. Sabinene content of the UVCB is about 1.37%
Qualifier:
according to guideline
Guideline:
other: EPI suite
Version / remarks:
v4.11
Principles of method if other than guideline:
QSAR
GLP compliance:
not specified
Boiling pt.:
141.81 °C
Atm. press.:
1 atm
Conclusions:
The boiling point of sabinene is 141.81°C at 1atm
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 QSAR model. There is no experimental study reference, however data provide from validated model.
No study was conducted on the oil itself, as not relevant for an UVCB. Literature provided data for the twelve major components representing about 85.54%. Sabinyl acetate content of the UVCB is about 1.7%
Qualifier:
according to guideline
Guideline:
other: EPI Suite
Version / remarks:
v4.00
Principles of method if other than guideline:
QSAR
GLP compliance:
not specified
Boiling pt.:
223.53 °C
Atm. press.:
1 atm
Conclusions:
The boiling point of sabinyl acetate is 223.53°C at 1atm
Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2005
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 QSAR model. There is no experimental study reference, however data provide from validated model.
No study was conducted on the oil itself, as not relevant for an UVCB. Literature provided data for the twelve major components representing about 85.54%. alpha pinene content of the UVCB is about 4.41%
Qualifier:
according to guideline
Guideline:
other: Lide, D.R. CRC Handbook of Chemistry and Physics 86 TH Edition 2005-2006. CRC Press,Taylor & Francis, Boca Raton, FL 2008, 9.3-436
Principles of method if other than guideline:
principles of method are not described in the HSDB but is **PEER REVIEWED** data.
GLP compliance:
not specified
Boiling pt.:
ca. 166 °C
Atm. press.:
1 atm
Conclusions:
The boiling point of beta pinene is 166°C
Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2016
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 QSAR model. There is no experimental study reference, however data provide from validated model.
No study was conducted on the oil itself, as not relevant for an UVCB. Literature provided data for the twelve major components representing about 85.54%. Beta pinene content of the UVCB is about 2.5%
Qualifier:
according to guideline
Guideline:
other: Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condesaed chemical Dictionary 16th Edition. Johan Wiley & Sons; Inc. Hoboken, NJ 2016.,p196
Principles of method if other than guideline:
principles of method are not described in the HSDB but is **PEER REVIEWED** data.
GLP compliance:
not specified
Boiling pt.:
ca. 212 °C
Atm. press.:
1 atm
Conclusions:
The boiling point of borneol is 212°C at 1 atm
Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2016
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 QSAR model. There is no experimental study reference, however data provide from validated model.
No study was conducted on the oil itself, as not relevant for an UVCB. Literature provided data for the twelve major components representing about 85.54%. Borneol content of the UVCB is about 2.5%
Qualifier:
according to guideline
Guideline:
other: Larranaga, M.D., Lewis, R.J. Sr., Lewis, R.A.; Hawley's Condesaed chemical Dictionary 16th Edition. Johan Wiley & Sons; Inc. Hoboken, NJ 2016.,p196
Principles of method if other than guideline:
principles of method are not described in the HSDB but is **PEER REVIEWED** data.
GLP compliance:
not specified
Boiling pt.:
ca. 212 °C
Atm. press.:
1 atm
Conclusions:
The boiling point of borneol is 212°C at 1 atm
Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2015
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 QSAR model. There is no experimental study reference, however data provide from validated model.
No study was conducted on the oil itself, as not relevant for an UVCB. Literature provided data for the twelve major components representing about 85.54%. Camphene content of the UVCB is about 7.08%
Qualifier:
according to guideline
Guideline:
other: Haynes, W.M. (ed.). CRC Handbook of Chemistry and Physics. 95 th Edition.CRC Press LLC, Boca Raton : FL 2014-2015, p.3-90
Principles of method if other than guideline:
QSAR
GLP compliance:
not specified
Boiling pt.:
161 °C
Atm. press.:
1 atm
Conclusions:
The boiling point of camphene is 161°C at 1 atm
Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2013
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 QSAR model. There is no experimental study reference, however data provide from validated model.
No study was conducted on the oil itself, as not relevant for an UVCB. Literature provided data for the twelve major components representing about 85.54%. Camphor content of the UVCB is about 27.68%
Qualifier:
according to guideline
Guideline:
other: O' Neil, M.J. (ed.). The Merck Index- An Encyclopedia of Chemicals, Drugs, and Biologicals. Cambridge, UK : Royal Society of Chemistry, 2013., p.300
Principles of method if other than guideline:
QSAR
GLP compliance:
not specified
Boiling pt.:
209 °C
Atm. press.:
1 atm
Conclusions:
The boiling point of camphor is 209°C at 1 atm
Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2015
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 QSAR model. There is no experimental study reference, however data provide from validated model.
No study was conducted on the oil itself, as not relevant for an UVCB. Literature provided data for the twelve major components representing about 85.54%. 1,8 Cineol content of the UVCB is about 23.77%
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. 3-270
Principles of method if other than guideline:
QSAR
GLP compliance:
not specified
Boiling pt.:
176 °C
Atm. press.:
1 atm
Conclusions:
The boiling point of 1.7 cineol is 176°C at 1 atm
Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2015
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 QSAR model. There is no experimental study reference, however data provide from validated model.
No study was conducted on the oil itself, as not relevant for an UVCB. Literature provided data for the twelve major components representing about 85.54%. Linalol content of the UVCB is about 1.59%
Qualifier:
according to guideline
Guideline:
other: Haynes, W.M. (ed.). CRC Handbook of Chemistry nd Physics. 95 th Edition. CRC Press LLC, Boca Raton : FL 2014-2015, p. 3-338
Principles of method if other than guideline:
QSAR
GLP compliance:
not specified
Boiling pt.:
198 °C
Atm. press.:
1 atm
Conclusions:
The boiling point of linalol is 198°C at 1atm
Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2015
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 QSAR model. There is no experimental study reference, however data provide from validated model.
No study was conducted on the oil itself, as not relevant for an UVCB. Literature provided data for the twelve major components representing about 85.54%. Linalyl acetate content of the UVCB is about 2.56%
Qualifier:
according to guideline
Guideline:
other: Haynes, W.M. (ed.). CRC Handbook of Chemistry nd Physics. 95 th Edition. CRC Press LLC, Boca Raton : FL 2014-2015, p. 3-338
Principles of method if other than guideline:
QSAR
GLP compliance:
not specified
Boiling pt.:
221 °C
Atm. press.:
1 atm
Conclusions:
The boiling point of linalyl acetate is 221°C at 1atm
Endpoint:
boiling point
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2015
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 QSAR model. There is no experimental study reference, however data provide from validated model.
No study was conducted on the oil itself, as not relevant for an UVCB. Literature provided data for the twelve major components representing about 85.54%. Myrcene content of the UVCB is about 2.77%
Qualifier:
according to guideline
Guideline:
other: Haynes, W.M. (ed.). CRC Handbook of Chemistry nd Physics. 95 th Edition. CRC Press LLC, Boca Raton : FL 2014-2015, p. 3-338
Principles of method if other than guideline:
QSAR
GLP compliance:
not specified
Boiling pt.:
167 °C
Atm. press.:
1 atm
Conclusions:
The boiling point of myrcene is 167°C at 1atm

Description of key information

Literature provides data for the 12 major components representing about 85.54% of the UVCB :

Consituent name  CAS Number  Boilling point  Source
  Camphor (27.68%)   76-22-2  209.0°C  HSDB
 1,8 -Cineol (23.77%)  470-82-6  176.0°C  HSDB
 Camphene (7.08%)  79-92-5  161.0°C  HSDB
 Alpha-pinene (5.56%)  80-56-8  156.0°C  HSDB
 D-limonene (4.53%)  5989-27-5  177.6°C  HSDB
 Beta-pinene (4.41%)  127-91-3  166.0°C  HSDB
 Mycrene (2.77%)  123-35-3  167.0°C  HSDB
 Acetate linalyl (2.56%)  115-95-7  211.0°C  HSDB
 Borneol (2.5%)  507-70-0  212.0°C  HSDB
 Acetate de trans sabinyl (1.7%)  3536-54-7  223.53°C  EPI suite v4.00
 Linalol (1.59%)  78-70-6  198.0°C  HSDB
 Sabinene (1.37%)  3387-41-5  141.81°C  EPI suite v4.11

Key value for chemical safety assessment

Additional information

No study was conducted on the oil itself, as not relevant for an UVCB.

The boiling point of the test item is estimated between 156.0C and 223.53°C.

As no CSA is required for the tonnage band of concern, no key value was retained.