Registration Dossier
Registration Dossier
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EC number: 290-370-1 | CAS number: 90131-58-1 Extractives and their physically modified derivatives such as tinctures, concretes, absolutes, essential oils, oleoresins, terpenes, terpene-free fractions, distillates, residues, etc., obtained from Thuya occidentalis, Pinaceae.
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Remarks:
- EPI suite
- Adequacy of study:
- weight of evidence
- 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 80%. Alpha thuyone content of the UVCB is about 53% - Qualifier:
- according to guideline
- Guideline:
- other: EPI suite
- Version / remarks:
- 4.11
- Principles of method if other than guideline:
- QSAR model
- Type:
- log Pow
- Partition coefficient:
- 2.65
- Temp.:
- 25 °C
- pH:
- ca. 7
- Conclusions:
- Log Kow value of alpha thuyone, present at a concentration of about 53% is 2.65.
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Remarks:
- EPI suite
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- 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 80%. Beta thuyone content of the UVCB is about 7% - Qualifier:
- according to guideline
- Guideline:
- other: EPI suite
- Version / remarks:
- 4.11
- Principles of method if other than guideline:
- QSAR model
- Type:
- log Pow
- Partition coefficient:
- 2.65
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- Log Kow value of beta thuyone, present at a concentration of about 7% is 2.65.
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Remarks:
- EPI
- Adequacy of study:
- weight of evidence
- 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 80%. Fenchone content of the UVCB is about 12% - Qualifier:
- according to guideline
- Guideline:
- other: EPI suite
- Version / remarks:
- 4.11
- Principles of method if other than guideline:
- QSAR model
- Type:
- log Pow
- Partition coefficient:
- 3.52
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: source : GRIFFIN,S ET AL. (1999)
- Conclusions:
- Log Kow value of fenchone, present at a concentration of about 12% is 3.52.
- Endpoint:
- partition coefficient
- Type of information:
- other: bibliography
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- data from handbook or collection of data
- Justification for type of information:
- Data comes from an grey literrature. There is no experimental study reference, however data provide from peer review data.
No study was conducted on the oil iself, as not relevant for an UVCB. Literature provided data for the five major components representing about 80%. Limonene content of the UVCB is about 3% - Qualifier:
- according to guideline
- Guideline:
- other: [Li J, Perdue EM; Physicochemical properties of selected monoterpenes. Preprints of papers presented at the 209th ACS National Meeting Anaheim, CA April 2-7, 35(1): 134-7 (1995)] **PEER REVIEWED**
- Principles of method if other than guideline:
- [Li J, Perdue EM; Physicochemical properties of selected monoterpenes. Preprints of papers presented at the 209th ACS National Meeting Anaheim, CA April 2-7, 35(1): 134-7 (1995)] **PEER REVIEWED**
- Type:
- log Pow
- Partition coefficient:
- 4.57
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- Log Kow value of limonene, present at a concentration of about 3% is 4.57.
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Remarks:
- EPI
- Adequacy of study:
- weight of evidence
- 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 80%. Sabinene content of the UVCB is about 5% - Qualifier:
- according to guideline
- Guideline:
- other: EPI suite
- Version / remarks:
- 4.11
- Principles of method if other than guideline:
- EPI suite v4.11
- Type:
- log Pow
- Partition coefficient:
- 4.69
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- Log Kow value of sabinene, present at a concentration of about 5% is 4.69.
Referenceopen allclose all
Description of key information
Literature provided data for the 5 major components representing about 80% of the UVCB :
| Constituent names | CAS nr | partition coefficient Log Kow | source |
| thuyone alpha (at 53%) | 546 -80 -5 | 2.65 | EPI suite v4.11 |
| fenchone (at 12%) | 1195 -79 -5 | 3.52 | EPI suite v4.11 |
| sabinene (at 5%) | 3387-41-5 | 4.69 | EPI suite v4.11 |
| thuyone beta (at 7%) | 471-15 -8 | 2.65 | EPI suite v4.11 |
| limonene dextro (at 3%) | 5989 -27 -5 | 4.57 | HSDB (toxnet) |
Key value for chemical safety assessment
Additional information
No study was conducted on the oil iself, as not relevant for an UVCB.
The log octanol-water partition coefficient at 25°C is comprised between 2.65 and 4.69.
As no CSA is required for the tonnage band of concern, no key value was retained.
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