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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.
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
![](https://www.echa.europa.eu/o/diss-blank-theme/images/factsheets/A-REACH/factsheet/print_physical-and-chemical-properties.png)
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- 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%. 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
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 4.1
- Remarks on result:
- other: Exper. Ref: HANSCH,C ET AL. (1995)
- Conclusions:
- Log Kow value of P cymene, present at a concentration of about 16% is 4.1.
- Endpoint:
- partition coefficient
- 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 67%. Thymol content of the UVCB is about 82.4% - Qualifier:
- according to guideline
- Guideline:
- other: EPI Suite
- Version / remarks:
- v4.11
- Principles of method if other than guideline:
- QSAR method
- GLP compliance:
- no
- Remarks:
- not relevant
- Partition coefficient type:
- octanol-water
- Key result
- Type:
- log Pow
- Partition coefficient:
- ca. 3.3
- Remarks on result:
- other: Exper. Ref: HANSCH,C ET AL. (1995)
- Conclusions:
- Log Kow value of thymol, present at a concentration of about 51% is 3.3.
- Endpoint:
- partition coefficient
- 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
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 3.49
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: GRIFFIN,S ET AL. (1999)
- Conclusions:
- Log Kow value of carvacrol, present at a concentration of about 3.1% is 3.49.
- Endpoint:
- partition coefficient
- 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
- GLP compliance:
- not specified
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 4.5
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- Log Kow value of gamma-terpinene, present at a concentration of about 8.7% is 4.5.
- Endpoint:
- partition coefficient
- 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
- Partition coefficient type:
- octanol-water
- Type:
- log Pow
- Partition coefficient:
- 2.97
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: LI,J & PERDUE, EM (1995)
- Conclusions:
- Log Kow value of linalol, present at a concentration of about 3.6% is 2.97.
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 | Log Kow | Source |
Thymol (at 51%) | 89-83-8 | 3.3 | EPI Suite v4.11 |
P-Cymene (at 16%) | 99-87-6 | 4.1 | EPI Suite v4.11 |
Gamma-terpinene (at 8.7) | 99-85-4 | 4.5 | EPI Suite v4.11 |
Linalol (at 3.6%) | 78-70-6 | 2.97 | EPI Suite v4.10 |
Carvacrol (at 3.1%) | 499-75-2 | 3.49 | 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.
Log kow of the 5 main constituents representing 82.4 % of the substance is between 2.97 et 4.50.
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.
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