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.
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- 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 is about 12% of the UVCB. - Qualifier:
- according to guideline
- Guideline:
- other: EPI suite
- Version / remarks:
- 4.11
- Principles of method if other than guideline:
- QSAR model
- Water solubility:
- 2 150 mg/L
- Conc. based on:
- not specified
- Temp.:
- 25 °C
- pH:
- 7
- Remarks on result:
- other: Exper. Ref: YALKOWSKY,SH & DANNENFELSER,RM (1992)
- Conclusions:
- Water solubility of fenchone present at 12% of the UVCB is 2150 mg/l at 25°C.
- Endpoint:
- water solubility
- 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 grey literrature. There is no experimental study reference, however data is cited in the database as 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: [Massaldi HA, King CJ; J Chem Eng Data 18: 393-7 (1973)] **PEER REVIEWED**
- Principles of method if other than guideline:
- [Massaldi HA, King CJ; J Chem Eng Data 18: 393-7 (1973)] **PEER REVIEWED**
- Water solubility:
- 13.8 mg/L
- Conc. based on:
- not specified
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- Water solubility of limonene dextro present at 3% of the UVCB is 13.8 mg/l at 25°C.
- Endpoint:
- water solubility
- 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, QSAR approach
- Water solubility:
- 2.494 mg/L
- Conc. based on:
- not specified
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- Water solubility of sabinene present at 5% of the UVCB is 2.494 mg/l at 25°C.
- Endpoint:
- water solubility
- 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%. Alpha + beta thuyone content of the UVCB is about 60% - Qualifier:
- according to guideline
- Guideline:
- other: EPI suite
- Version / remarks:
- 4.11
- Principles of method if other than guideline:
- QSAR model
- Water solubility:
- 407.7 mg/L
- Temp.:
- 25 °C
- pH:
- 7
- Conclusions:
- Water solubility of thuyones present at 60% of the UVCB is 407.7 mg/l at 25°C.
Referenceopen allclose all
Description of key information
Literature provided data for the 4 major components representing about 80% of the UVCB ranging between 2.49 mg/l and 2150 mg/l for the water solubility at 25°C as followed :
| Constituent names | CAS nr | Water solubility at 25°C | source |
| thuyone alpha + beta (at about 60%) | 546 -80 -5 / 471-15-8 | 407.7 mg/L | EPI suite v4.11 |
| fenchone (at 12%) | 1195 -79 -5 | 2150 mg/L | EPI suite v4.11 |
| sabinene (at 5%) | 3387-41-5 | 2.494 mg/L | EPI suite v4.11 |
| limonene (at 3%) | 5989 -27 -5 | 13.8 mg/L | HSDB - toxnet |
Key value for chemical safety assessment
Additional information
As no CSA is required for the tonnage band of concern, no key value was retained.
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