Registration Dossier
Registration Dossier
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EC number: 280-041-0 | CAS number: 82799-44-8
Flash point
Administrative data
Link to relevant study record(s)
- Endpoint:
- flash point, other
- Remarks:
- predicted
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- 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:
- 1. SOFTWARE: Toxicity Estimation Software Tool TEST (by US EPA)
2. MODEL: v 4.2
3. SMILES USED AS INPUT FOR THE MODEL: CCc1cc(CC)c2Sc3ccccc3C(=O)c2c1
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL: validity of model and reliability of prediction is considered adequate; additionally, the result was confirmed by another prediction tool (ACD/Labs)
5. APPLICABILITY DOMAIN: the substance falls within the applicability domain of the (Q)SAR model
6. ADEQUACY OF THE RESULT: the result is adequate for risk assessment. - Qualifier:
- according to guideline
- Guideline:
- other: REACH guidance on QSARs Chapter R.6 , May 2008
- Deviations:
- not applicable
- Flash point:
- 227.51 °C
- Remarks on result:
- other: predicted flash point (Consensus method)
- Conclusions:
- flash point (estimated, Consensus method): 227.51 °C
- Executive summary:
The flash point of 2,4-diethyl-9H-thioxanthen-9-one has been estimated by the Toxicity Estimation Software Tool (TEST v 4.2 by US EPA): 227.51 °C (Consensus method).
The estimated flash point seems to be sufficient reliable because the commercial software 'ACD/Labs Percepta Platform - physChem Module' gives an equal result: 237.3 ± 14.4 °C.
- Endpoint:
- flash point of flammable liquids
- Data waiving:
- study technically not feasible
- Justification for data waiving:
- the study does not need to be conducted because the flash point is only relevant to liquids and low melting point solids
Referenceopen allclose all
Description of key information
Supporting information for data waiving:
- Flash point of 2,4-diethyl-9H-thioxanthen-9-one estimated with Toxicity Estimation Software Tool (TEST v 4.2 by US EPA): 227.51 °C (Consensus method).
- Estimated flash point by TEST seems to be sufficient reliable because the commercial software 'ACD/Labs Percepta Platform - physChem Module' gives an equal result: 237.3 ± 14.4 °C.
- Lowest estimated flashpoint: 222.9 °C.
Key value for chemical safety assessment
- Flash point at 101 325 Pa:
- 223 °C
Additional information
The software by ACD/Labs was not available, but the predicted flash point can be found online http://www.chemspider.com/Chemical-Structure.109489.html?rid=2351044f-015f-4a0c-9a90-3df18770c868&page_num=0.
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.
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