Registration Dossier
Registration Dossier
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EC number: 217-119-0 | CAS number: 1745-81-9
Water solubility
Administrative data
- Endpoint:
- water solubility
- 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
- Remarks:
- QSAR software used for estimation of the result
- Justification for type of information:
- QSAR software used for estimation of the result
Data source
Referenceopen allclose all
- Reference Type:
- publication
- Title:
- No information
- Author:
- SRC
- Year:
- 2 013
- Bibliographic source:
- SRC PhysProp Database, SRC Inc., USA published on the web http://esc.syrres.com/fatepointer/webprop.asp?CAS=1745819
- Report date:
- 2013
- Reference Type:
- publication
- Title:
- No information
- Author:
- NEELY,WB & BLAU,GE
- Year:
- 1 985
- Bibliographic source:
- Lyman, W.J. 1985. In: Environmental Exposure From Chemicals. Volume I., Neely,W.B. and Blau,G.E. (eds), Boca Raton, FL: CRC Press, Inc., Chapter 2., US EPA EPISuite published on SRC PhysProp Database, SRC Inc., USA on the web
Materials and methods
Test guideline
- Qualifier:
- no guideline followed
- Principles of method if other than guideline:
- QSAR software used for estimation of the result
- GLP compliance:
- not specified
- Remarks:
- QSAR software used for estimation of the result
- Type of method:
- other: QSAR software used for estimation of the result
Test material
- Reference substance name:
- 2-allylphenol
- EC Number:
- 217-119-0
- EC Name:
- 2-allylphenol
- Cas Number:
- 1745-81-9
- Molecular formula:
- C9H10O
- IUPAC Name:
- 2-(prop-2-en-1-yl)phenol
- Details on test material:
- CAS Number : 001745-81-9
Chem Name : Phenol, 2-(2-propenyl)-
Mol Formula: C9H10O
Mol Weight : 134.18
Melting Pt : -6 deg C
Boiling Pt : 220 deg C
smiles code: C=CCC1=CC=CC=C1O
InChI=1S/C9H10O/c1-2-5-8-6-3-4-7-9(8)10/h2-4,6-7,10H,1,5H2
Constituent 1
- Specific details on test material used for the study:
- QSAR software used for estimation of the result
Results and discussion
Water solubility
- Key result
- Water solubility:
- 3 721 mg/L
- Remarks on result:
- other: QSAR software used for estimation of the result
- Details on results:
- QSAR software used for estimation of the result
Applicant's summary and conclusion
- Conclusions:
- The substance is highly soluble in water
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