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Vapour pressure

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Endpoint:
vapour pressure
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 iself, as not relevant for an UVCB. Literature provided data for the seven major components representing about 80.1%. Beta-caryophyllene content of the UVCB is about 2.4%
Qualifier:
according to
Guideline:
other: EPI Suite
Version / remarks:
v4.11
Principles of method if other than guideline:
QSAR method
GLP compliance:
not specified
Temp.:
ca. 25 °C
Vapour pressure:
ca. 0.031 mm Hg
Conclusions:
The vapour pressure of beta-caryophyllene is 0.0312 mmHg at 25°C.
Endpoint:
vapour pressure
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 iself, as not relevant for an UVCB. Literature provided data for the seven major components representing about 80.1%. Carvacrol content of the UVCB is about 2.25%
Qualifier:
according to
Guideline:
other: EPI Suite
Version / remarks:
v4.11
Principles of method if other than guideline:
QSAR method
GLP compliance:
not specified
Temp.:
ca. 25 °C
Vapour pressure:
ca. 0.023 mm Hg
Remarks on result:
other: Means VP of Antoine & Grain methods
Conclusions:
The vapour pressure of carvacrol is 0.0232 mmHg at 25°C.
Endpoint:
vapour pressure
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 iself, as not relevant for an UVCB. Literature provided data for the seven major components representing about 80.1%. Gamma-terpinene content of the UVCB is about 11%
Qualifier:
according to
Guideline:
other: EPI Suite
Version / remarks:
v4.11
Principles of method if other than guideline:
QSAR method
GLP compliance:
not specified
Temp.:
ca. 25 °C
Vapour pressure:
ca. 1.09 mm Hg
Conclusions:
The vapour pressure of gamma-terpinene is 1.09 mmHg at 25°C.
Endpoint:
vapour pressure
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 iself, as not relevant for an UVCB. Literature provided data for the seven major components representing about 80.1%. Lianlol content of the UVCB is about 4.55%
Qualifier:
according to
Guideline:
other: EPI Suite
Version / remarks:
v4.10
Principles of method if other than guideline:
QSAR method
GLP compliance:
not specified
Temp.:
ca. 25 °C
Vapour pressure:
ca. 0.083 mm Hg
Remarks on result:
other: Mean VP of Antoine & Grain methods
Conclusions:
The vapour pressure of linalol is 0.0832 mmHg at 25°C.
Endpoint:
vapour pressure
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 iself, as not relevant for an UVCB. Literature provided data for the seven major components representing about 80.1%. P-Cymene content of the UVCB is about 18%
Qualifier:
according to
Guideline:
other: EPI Suite
Version / remarks:
v4.11
Principles of method if other than guideline:
QSAR method
GLP compliance:
not specified
Key result
Temp.:
ca. 25 °C
Vapour pressure:
ca. 1.14 mm Hg
Remarks on result:
other: (Mean VP of Antoine & Grain methods)
Conclusions:
The vapour pressure of p-cymene is 1.14 mmHg at 25°C.
Endpoint:
vapour pressure
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 iself, as not relevant for an UVCB. Literature provided data for the seven major components representing about 80.1%. Thymol content of the UVCB is about 39.2%
Qualifier:
according to
Guideline:
other: EPI Suite
Version / remarks:
v4.11
Principles of method if other than guideline:
QSAR method
GLP compliance:
not specified
Key result
Test no.:
#1
Temp.:
ca. 25 °C
Vapour pressure:
ca. 0.017 mm Hg
Conclusions:
The vapour pressure of thymol is 0.0167 mmHg at 25°C.
Endpoint:
vapour pressure
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Study period:
2018
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 iself, as not relevant for an UVCB. Literature provided data for the seven major components representing about 80.1%. Borneol content of the UVCB is about 2.7%
Qualifier:
according to
Guideline:
other: [Fichan I et al; J Chem Eng Data, 44 : 56-62(1999)]
Principles of method if other than guideline:
QSAR method
GLP compliance:
not specified
Temp.:
ca. 25 °C
Vapour pressure:
ca. 0.05 mm Hg
Conclusions:
The vapour pressure of borneol is 0.0502 mmHg at 25°C

Description of key information

Literature provided data for the 7 major components representing about 80.1% of the UVCB :

Consituent Name   CAS Number  Vapour pressure at 25°C  Source
 Thymol (at 39.2%)  89-83-8  0.0167 mmHg  EPI Suite v4.11
 P-Cymene (at 18%)  99-87-6  1.14 mmHg  EPI Suite v4.11
 Gamma-terpinene (at 11%)  99-85-4  1.09 mmHg  EPI Suite v4.11
 Linalol (at 4.55%)  79-70-6  0.0832 mmHg  EPI Suite v4.10
 Carvacrol (at 2.25%)  499-75-2  0.0232 mmHg EPI Suite v4.11 
 Beta-caryophyllene (at 2.4%)  87 -44 -5  0.0312 mmHg  EPI Suite v4.11
 Borneol (at 2.7%)  507 -70 -0  0.0502 mmHg  HSDB

Key value for chemical safety assessment

Additional information

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

The vapour pressure of the test item is estimated between 0.0167 mmHg and 1.14 mmHg.

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