Registration Dossier
Registration Dossier
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EC number: 203-124-5 | CAS number: 103-56-0
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- data is from modelling database
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- WSKOW v1.42 was used to estimate the water solubility of substance Cinnamyl propionate
- GLP compliance:
- not specified
- Type of method:
- other: estimated data
- Specific details on test material used for the study:
- - Name of test material (as cited in study report): cinnamyl propionate
- Name (IUPAC): (2E)-3-phenylprop-2-en-1-yl propanoate
- Molecular formula: C12H14O2
- Molecular weight: 190.241 g/mol
- Smiles notation: c1(\C=C\COC(CC)=O)ccccc1
- InChl: 1S/C12H14O2/c1-2-12(13)14-10-6-9-11-7-4-3-5-8-11/h3-9H,2,10H2,1H3/b9-6+
- Substance type: Organic
-Physical state: colourless-pale yellow liquid - Key result
- Water solubility:
- 69 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- other: no other details available
- Conclusions:
- The estimated water solubility of substance Cinnamyl propionate at 25 deg C was 69 mg/l.
- Executive summary:
The data from EPI suite (WSKOW v1.42) and authoritative database, which was used to estimate the water solubility of the substance Cinnamyl propionate.
The estimated water solubility of the substance Cinnamyl propionate at 25 deg C was 69 mg/l.
Based on the estimated value, the substance Cinnamyl propionate was considered to be slightly soluble in water.
Reference
Description of key information
The estimated water solubility of substance Cinnamyl propionate at 25 deg C was 69 mg/l.
Key value for chemical safety assessment
- Water solubility:
- 69 mg/L
- at the temperature of:
- 25 °C
Additional information
Data from authoritative and modelling databases (EPI suite,WSKOW v1.42) suggested that the estimated water solubility of substance Cinnamyl propionate at 25 deg C was 69 mg/l.
Even though other data from handbooks suggested that Cinnamyl propionate was insoluble in water, based on the estimated value for water solubility, the substance Cinnamyl propionate can be considered to be slightly soluble in water.
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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