Registration Dossier
Registration Dossier
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EC number: 285-397-0 | CAS number: 85085-75-2 Extractives and their physically modified derivatives such as tinctures, concretes, absolutes, essential oils, oleoresins, terpenes, terpene-free fractions, distillates, residues, etc., obtained from Thymus zygis, 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 five major components representing about 82.5%. P-Cymene content of the UVCB is about 16% - 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 five major components representing about 82.4%.Thymol content of the UVCB is about 51% - 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:
- 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 five major components representing about 82.4%. Carvacrol content of the UVCB is about 3.1% - 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 five major components representing about 82.4%. Gamma terpinene content of the UVCB is about 8.7% - 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:
- 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 five major components representing about 82.4%. Linalol content of the UVCB is about 3.6% - 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
- Boiling pt.:
- ca. 204.05 °C
- Atm. press.:
- 1 atm
- Remarks on result:
- other: atm pressure is presumed
- Conclusions:
- The boiling point of linalol is 204.05°C.
Referenceopen allclose all
Description of key information
Literature provided data for the 5 major components representing about 82.4% of the UVCB :
| Consituent Name | CAS Number | Boiling point | Source |
| Thymol (at 51%) | 89-83-8 | 236.92°C | EPI Suite v4.11 |
| P-Cymene (at 16%) | 99-87-6 | 178.34°C | EPI Suite v4.11 |
| Gamma-terpinene (at 8.7%) | 99-85-4 | 183.00°C | EPI Suite v4.11 |
| Linalol (at 3.6%) | 78-70-6 | 204.05°C | EPI Suite v4.10 |
| Carvacrol (at 3.1%) | 499-75-2 | 237.70°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 237.70°C.
As no CSA is required for the tonnage band of concern, no key value was retained.
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