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.
Vapour pressure
Administrative data
Link to relevant study record(s)
- Endpoint:
- vapour pressure
- 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 thuyone content of the UVCB is about 53% - Qualifier:
- according to guideline
- Guideline:
- other: EPI suite
- Version / remarks:
- v4.11
- Principles of method if other than guideline:
- QSAR method
- Test no.:
- #1
- Temp.:
- 25 °C
- Vapour pressure:
- 0.449 mm Hg
- Conclusions:
- Vapour pressure of alpha thuyone which is present at a concentration of about 53% (typical value) is 0.449 mmHg at 25°C.
- Endpoint:
- vapour pressure
- 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%. Beta thuyone content of the UVCB is about 7% - Qualifier:
- according to guideline
- Guideline:
- other: EPI suite
- Version / remarks:
- v4.11
- Principles of method if other than guideline:
- QSAR model
- Test no.:
- #1
- Temp.:
- 25 °C
- Vapour pressure:
- 0.449 mm Hg
- Conclusions:
- Vapour pressure of beta thuyone which is present at a concentration of about 7% (typical value) is 0.449 mmHg at 25°C.
- Endpoint:
- vapour pressure
- 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
- Test no.:
- #1
- Temp.:
- 25 °C
- Vapour pressure:
- 0.721 mm Hg
- Conclusions:
- Vapour pressure of fenchone which is present at a concentration of about 12% (typical value) is 0.721 mmHg at 25°C.
- Endpoint:
- vapour pressure
- 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: [Yaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston,TX: Gulf Pub Co (1994)] **PEER REVIEWED**
- Principles of method if other than guideline:
- [Yaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston,TX: Gulf Pub Co (1994)] **PEER REVIEWED**
- Test no.:
- #1
- Temp.:
- 25 °C
- Vapour pressure:
- 1.98 mm Hg
- Conclusions:
- Vapour pressure of limonene which is present at a concentration of about 3% (typical value) is 1.98 mmHg at 25°C.
- Endpoint:
- vapour pressure
- 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 aprroach
- Test no.:
- #1
- Temp.:
- 25 °C
- Vapour pressure:
- 7.36 mm Hg
- Conclusions:
- Vapour pressure of sabinene which is present at a concentration of about 5% (typical value) is 7.36 mmHg at 25°C.
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 | vapour pressure at 25°C | source |
| thuyone alpha (at 53%) | 546 -80 -5 | 0.449 mm Hg | EPI suite v4.11 |
| fenchone (at 12%) | 1195 -79 -5 | 0.721 mm Hg | EPI suite v4.11 |
| sabinene (at 5%) | 3387-41-5 | 7.36 mm Hg | EPI suite v4.11 |
| thuyone beta (at 7%) | 471-15 -8 | 0.449 mm Hg | EPI suite v4.11 |
| limonene dextro (at 3%) | 5989 -27 -5 | 1.98 mm Hg | 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 vapour pressure at 25°C of the test item is estimated between 0.449 mmHg and 7.36 mmHg.
As no CSA is required for the tonnage band of concern, no key value was retained.
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