Registration Dossier
Registration Dossier
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EC number: 278-593-2 | CAS number: 77017-20-0
Surface tension
Administrative data
- Endpoint:
- surface tension
- Type of information:
- (Q)SAR
- Adequacy of study:
- weight of evidence
- Study period:
- 2013
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- other: US EPA Toxicity Estimation Software Tool (TEST) v.4.1, accepted QSAR method for organic chemicals properties assessment.
- Justification for type of information:
- QSAR prediction: migrated from IUCLID 5.6
Data source
Referenceopen allclose all
- Reference Type:
- publication
- Title:
- The Toxicity Estimation Software Tool (T.E.S.T.).
- Author:
- YOUNG, D. M.
- Year:
- 2 010
- Bibliographic source:
- Presented at New England Green Chemistry Networking Forum , Boston, MA, December 16, 2010.
- Reference Type:
- publication
- Title:
- Evaluation of different statistical approaches for the validation of quantitative structure-activity relationships.
- Author:
- Gramatica, P., and Pilutti, P.
- Year:
- 2 004
- Bibliographic source:
- Ispra, Italy: The European Commission - Joint Research Centre, Institute for Health & Consumer Protection - ECVAM.
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: QSAR
- GLP compliance:
- no
- Remarks:
- not applicable to QSAR models
Test material
- Reference substance name:
- 16α,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate
- EC Number:
- 278-593-2
- EC Name:
- 16α,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate
- Cas Number:
- 77017-20-0
- Molecular formula:
- C23H28O6
- IUPAC Name:
- 2-[(1S,2R,3aS,3bS,9aS,11aS)-1,2-dihydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate
Constituent 1
Results and discussion
Surface tension
- Surface tension:
- 48.72 other: dyn/cm
- Temp.:
- 25 °C
- Remarks on result:
- other: Calculated by T.E.S.T.
Applicant's summary and conclusion
- Conclusions:
- A surface tension of 48.72 dyn/cm has been calculated.
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