Registration Dossier
Registration Dossier
Use of this information is subject to copyright laws and may require the permission of the owner of the information, as described in the ECHA Legal Notice.
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.
Physical & Chemical properties
Water solubility
Currently viewing:
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- 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
- Water solubility:
- ca. 23.4 mg/L
- Conc. based on:
- not specified
- Temp.:
- 25 °C
- Remarks on result:
- other: BANERJEE,S ET AL. (1980)
- Key result
- Water solubility:
- ca. 23.4 mg/L
- Conc. based on:
- not specified
- Temp.:
- 25 °C
- Remarks on result:
- other: SUNTIO,LR ET AL. (1988A)
- Conclusions:
- Water solubility of p-cymene present at 18% of the UVCB is 23.4 mg/l at 25°C.
- Endpoint:
- water solubility
- 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
- Water solubility:
- ca. 437.4 mg/L
- Temp.:
- 25 °C
- Remarks on result:
- other: estimate
- Conclusions:
- Water solubility of thymol present at 39.2% of the UVCB is 437.4 mg/l at 25°C.
- Endpoint:
- water solubility
- 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
- Water solubility:
- ca. 1 020 mg/L
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- Water solubility of carvacrol present at 2.25% of the UVCB is 1020 mg/l at 25°C.
- Endpoint:
- water solubility
- 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
- Water solubility:
- ca. 8.68 mg/L
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- Water solubility of gamma-terpinene present at 11% of the UVCB is 8.68 mg/l at 25°C.
- Endpoint:
- water solubility
- 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%. Linalol 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
- Water solubility:
- ca. 1 590 mg/L
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: YALKOWSKY, SH & DANNENFELSER,RM (1992)
- Conclusions:
- Water solubility of linalol present at 4.55% of the UVCB is 1590 mg/l at 25°C.
- Endpoint:
- water solubility
- 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
- Water solubility:
- ca. 0.074 mg/L
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- Water solubility of beta-caryophyllene present at 2.4% of the UVCB is 0.0743 mg/l at 25°C.
- Endpoint:
- water solubility
- 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: [Yalkowsky, S.H.,He,Yan,Jain,P. Handbook of Aqueous Solubility Data Second Edition. CRC Press, Boca Raton, FL2010, p. 727]
- Principles of method if other than guideline:
- QSAR method
- GLP compliance:
- not specified
- Water solubility:
- ca. 738 mg/L
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- Water solubility of borneol present at 2.7% of the UVCB is 738.0 mg/l 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 | Water solubitity at 25°C | Source |
| Thymol (at 39.2%) | 89-83-8 | 437.4 mg/L | EPI Suite v4.11 |
| P-Cymene (at 18%) | 99-87-6 | 27.88 mg/L | EPI Suite v4.11 |
| Gamma-terpinene (at 11%) | 99-85-4 | 8.68 mg/L | EPI Suite v4.11 |
| Linalol (at 4.55%) | 78-70-6 | 1590 mg/L | EPI Suite v4.10 |
| Carvacrol (at 2.25%) | 499-75-2 | 1020 mg/L | EPI Suite v4.11 |
| Beta-caryophyllene (at 2.4%) | 87-44-5 | 0.0743 mg/L | EPI Suite v4.11 |
| Borneol (at 2.7%) | 507-70-0 | 738 mg/L | HSDB - toxnet |
Key value for chemical safety assessment
Additional information
No study was conducted on the oil itself, as not relevant for an UVCB.
Water solubility of the 7 main constituents is between 0.0743 and 1590 mg/L at 25°C.
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.
