Registration Dossier
Registration Dossier
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EC number: 252-091-3 | CAS number: 34562-31-7
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- 2012
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- Estimated data are obtained from a reliable (Q)SAR program developed and validated by the United States Environmental Protection Agency (U.S. EPA). This program is included in the OECD (Q)SAR Toolbox for use in filling REACH datagaps
- GLP compliance:
- no
- Type of method:
- other: not specified
- Specific details on test material used for the study:
- No test material used.
CAS Number: 34562 -31 -7
SMILES: N(c(ccc1)c1)(C=C(C=C2CC)CC)CC)C2CCC - Key result
- Water solubility:
- 0.053 mg/L
- Conc. based on:
- test mat.
- Incubation duration:
- 8 h
- Temp.:
- 20 °C
- pH:
- 7
- Remarks on result:
- other: incubatin and pH not noted
- Remarks:
- assume neutral pH
- Conclusions:
- The water solubility of the substance was estimated to be 0.05323 mg/L using (WSKOW v1.42) of EPI-Suite (v4.11)
Reference
CAS Number: 34562 -31 -7
SMILES: N(c(ccc1)c1)(C=C(C=C2CC)CC)CC)C2CCC
CHEM: Pyridine, 3,5 -diethyl-1,2 -dihydro-1 -phenyl-2 -propyl
MOL FOR: C18H25N1
MOL WT: 255.41
SUMMARY MPBVP v1.43
Description of key information
0.05323 mg/L (est.)
Key value for chemical safety assessment
- Water solubility:
- 0.053 mg/L
- at the temperature of:
- 25 °C
Additional information
Estimated using (WSKOW v1.42) of EPI-Suite (v4.11)
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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