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.
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 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
- Boiling pt.:
- ca. 256.8 °C
- Atm. press.:
- 1 atm
- Remarks on result:
- other: atm pressure is presumed
- Conclusions:
- The boiling point of beta caryophene is 256.80°C
- 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 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
- Boiling pt.:
- ca. 237.7 °C
- Atm. press.:
- 1 atm
- Remarks on result:
- other: atm pressure is presumed
- Conclusions:
- The boiling point of carvacrol is 237.70°C.
- 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 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
- Boiling pt.:
- 183 °C
- Atm. press.:
- 1 atm
- Remarks on result:
- other: atm pressure is presumed
- Conclusions:
- The boiling point of gamma-terpinene is 183.0°C.
- Endpoint:
- boiling point
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2017
- 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%. Linalol content of the UVCB is about 4.55% - 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
- Principles of method if other than guideline:
- QSAR method
- GLP compliance:
- not specified
- Boiling pt.:
- ca. 198 °C
- Atm. press.:
- 1 atm
- Remarks on result:
- other: atm pressure is presumed
- Conclusions:
- The boiling point of linalol is 198,0°C.
- 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 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
- Boiling pt.:
- ca. 178.34 °C
- Atm. press.:
- ca. 1 atm
- Remarks on result:
- other: atm pressure is presumed
- Conclusions:
- The boiling point of p cymene is 178.34 °C.
- 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 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
- Boiling pt.:
- ca. 236.92 °C
- Atm. press.:
- ca. 1 atm
- Remarks on result:
- other: atm pressure is presumed
- Conclusions:
- The boiling point of thymol is 236.92 °C.
- Endpoint:
- boiling point
- 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: [Larranaga, M.D., Lewis, R.J.Sr., Lewis, R.A.; Hawley's Condensed Chemical Dictionary 16th Edition. Johan Wiley&: Sons, Inc. Hoboken, NJ 2016., p.196]
- Principles of method if other than guideline:
- QSAR method
- GLP compliance:
- not specified
- Boiling pt.:
- ca. 212 °C
- Atm. press.:
- 1 atm
- Remarks on result:
- other: atm pressure is presumed
- Conclusions:
- The boiling point of borneol is 212.0°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 | Boiling point | Source | |
| Thymol (at 39.2%) | 89-83-8 | 236.92°C | EPI Suite v4.11 | |
| P-cymene (at 18%) | 99-87-6 | 178.34°C | EPI Suite v4.11 | |
| Gamma-terpinene (at 11%) | 99-85-4 | 183.00°C | EPI Suite v4.11 | |
| Linalol (at 4.55%) | 78-70-6 | 198.00°C | HSDB - toxnet | |
| Carvacrol (at 2.25%) | 499-75-2 | 237.7°C | EPI Suite v4.11 | |
| Borneol (at 2.7%) | 507-70-0 | 212.00°C | HSDB - toxnet | |
| Beta-caryophyllene (at 2.4%) | 87-44-5 | 256.80°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 178.34°C and 256.80°C, according to the components presents in the UVCB substance.
As no CSA is required for the tonnage band of concern, no key value was retained.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
