Registration Dossier
Registration Dossier
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EC number: 204-052-7 | CAS number: 114-70-5
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:
- equivalent or similar to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- WSKOW v1.42 was used to estimate the water solubility of test substance
- GLP compliance:
- not specified
- Type of method:
- other: estimated data
- Specific details on test material used for the study:
- - Name of test material: Sodium phenylacetate
- IUPAC name: Sodium 2-phenylacetate
- Molecular formula: C8H7NaO2
- Molecular weight: 158.1313 g/mole
- Smiles : c1(ccccc1)CC(=O)[O-].[Na+]
- Inchl: 1S/C8H8O2.Na/c9-8(10)6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
- Substance type: Organic
- Physical state: Solid - Key result
- Water solubility:
- 1 000 000 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 25 °C
- Remarks on result:
- completely miscible
- Conclusions:
- The estimated water solubility of test substance Sodium phenylacetate at 25 deg C was 1000000 mg/l
- Executive summary:
WSKOW v1.42 was used to estimate the water solubility of the test substance Sodium phenylacetate.
The estimated water solubility of the substance Sodium phenylacetate at 25 deg C was 1000000 mg/l
Based on the estimated value, the test substance Sodium phenylacetate was cosidered to be very soluble in water.
Reference
Description of key information
The estimated water solubility of test substance Sodium phenylacetate at 25 deg C was 1000000 mg/l.
Key value for chemical safety assessment
- Water solubility:
- 1 000 000 mg/L
- at the temperature of:
- 25 °C
Additional information
WSKOW v1.42 was used to estimate the water solubility of the test substance Sodium phenylacetate.
The estimated water solubility of the test substance Sodium phenylacetate at 25 deg C was 1000000 mg/l
Other supporting data from other reliable handbooks, also suggested the chemical Sodium phenylacetate was soluble in water.
Results based on above data and estimated values confirmed that the chemical Sodium phenylacetate was very soluble-soluble in water.
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