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EC number: 305-105-8 | CAS number: 94334-32-4 Extractives and their physically modified derivatives such as tinctures, concretes, absolutes, essential oils, oleoresins, terpenes, terpene-free fractions, distillates, residues, etc., obtained from Thuya plicata, Cupressaceae.
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 six major components representing more than 85% of the UVCB. Alpha thuyone content of the UVCB is about 66%. - 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 66% (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 six major components representing more than 85% of the UVCB. Beta thuyone content of the UVCB is about 9%. - 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 9% (typical value) is 0.449 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 online compilation using secondary data sources. There is no experimental study reference, however data is cited in the database as peer reviewed.
No study was conducted on the oil iself, as not relevant for an UVCB. Literature provided data for the six major components representing more than 85% of the UVCB (Myrcene content about 2.3%). - Qualifier:
- according to guideline
- Guideline:
- other: [Haynes, W.M. (ed.) CRC Handbook of Chemistry and Physics. 91st ed. Boca Raton, FL: CRC Press Inc., 2010-2011, p. 6-112] **PEER REVIEWED**
- Principles of method if other than guideline:
- no data
- Temp.:
- 25 °C
- Vapour pressure:
- 2.09 mm Hg
- Conclusions:
- The vapor pressure of myrcene (at 2.3% in the UVCB) is 2.09 mm Hg 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 online compilation using secondary data sources. There is no experimental study reference, however data is cited in the database as peer reviewed.
No study was conducted on the oil iself, as not relevant for an UVCB. Literature provided data for the 6 major components representing more than 85% of the UVCB. alpha pinene represents 2.5% of the UVCB. - Qualifier:
- according to guideline
- Guideline:
- other: [Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.] **PEER REVIEWED**
- Principles of method if other than guideline:
- no data
- Temp.:
- 25 °C
- Vapour pressure:
- 4.75 mm Hg
- Conclusions:
- The vapor pressure of pinene alpha (2.5% of the UVCB) is 4.75 mm Hg 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 six major components representing more than 85% of the UVCB. Sabinene content of the UVCB is about 5.6% - 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 5.6% (typical value) is 7.36 mmHg at 25°C.
- Endpoint:
- vapour pressure
- Type of information:
- other: bibliography
- Adequacy of study:
- weight of evidence
- Reliability:
- 2 (reliable with restrictions)
- Justification for type of information:
- Data comes from an online compilation using secondary data sources. There is no experimental study reference, however data is cited in the database as peer reviewed.
No study was conducted on the oil iself, as not relevant for an UVCB. Literature provided data for the six major components representing more than 85%. terpinene-4-ol content of the UVCB : ca 2.5% - Qualifier:
- no guideline required
- Principles of method if other than guideline:
- no data
- Test no.:
- #1
- Temp.:
- 25 °C
- Vapour pressure:
- 0.04 mm Hg
- Conclusions:
- Vapour pressure of terpinene-4-ol which is present at a concentration of about 2.5% is estimated at 0.04 mmHg at 25°C.
Referenceopen allclose all
Description of key information
Literature provided data for the 6 major components representing more than 85% of the UVCB substance:
| Constituent names | CAS nr | Vapour pressure at 25°C | source |
| thuyone alpha (at about 66%) | 546 -80 -5 | 0.449 mmHg | HSDB |
| sabinene (at about 5.5%) | 3387 -41 -5 | 7.36 mmHg | EPI suite v4.11 |
| terpinen-4-ol (at about 2.5%) | 562-74-3 | 0.04 mmHg | HSDB |
| pinene alpha (at about 2.5%) | 80-56 -8 | 4.75 mmHg | HSDB |
| myrcene (at about 2.3%) | 123-35-3 | 2.09 mmHg | HSDB |
| thuyone beta (at about 9%) | 471-15-8 | 0.449 mmHg | HSDB |
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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