Registration Dossier
Registration Dossier
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EC number: 284-535-7 | CAS number: 84929-51-1 Extractives and their physically modified derivatives such as tinctures, concretes, absolutes, essential oils, oleoresins, terpenes, terpene-free fractions, distillates, residues, etc., obtained from Thymus vulgaris, Labiatae.
Vapour pressure
Administrative data
Link to relevant study record(s)
- 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
- 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
- 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
- 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
- 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
- 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
- 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
- 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
Referenceopen allclose all
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.
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