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EC number: 204-559-3 | CAS number: 122-63-4
Solubility in organic solvents / fat solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- solubility in organic solvents / fat solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- other: As mention below
- Principles of method if other than guideline:
- The solubility determination of test substance benzyl propionate (CAS No. 122-63-4 ) in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF).
- GLP compliance:
- no
- Specific details on test material used for the study:
- - Name of test material (IUPAC name): Benzyl propionate
- Molecular formula: C10H12O2
- Molecular weight: 164.203 g/mol
- SMILES: c1(COC(CC)=O)ccccc1
- InChI: 1S/C10H12O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
- Substance type: Organic
- Physical state: Liquid
- Batch: 2014030601 R-87
- Purity: 99.79% (GLC)
- Physical Appearance: Colourless liquid
- Stability: Stable in recommended storage conditions
- Storage Conditions: Store in cool, dry and ventilated area away from heat sources and protected from light in tightly closed original container. Keep air contact to a minimum. - Key result
- Medium:
- dimethylformamide
- Solubility:
- > 1 000 g/L
- Remarks on result:
- other: No other detail available
- Key result
- Medium:
- acetone
- Solubility:
- >= 200 - <= 1 000 g/L
- Temp.:
- 20 °C
- Remarks on result:
- other: No other detail available
- Key result
- Medium:
- acetonitrile
- Solubility:
- >= 200 - <= 1 000 g/L
- Temp.:
- 20 °C
- Remarks on result:
- other: No other detail available
- Key result
- Medium:
- ethanol
- Solubility:
- >= 200 - <= 1 000 g/L
- Temp.:
- 20 °C
- Remarks on result:
- other: No other detail available
- Key result
- Medium:
- methanol
- Solubility:
- >= 100 - <= 200 g/L
- Temp.:
- 20 °C
- Remarks on result:
- other: No other detail available
- Test substance stable:
- yes
- Conclusions:
- The solubility range of the substance benzyl propionate in toluene and DMF was found to be greater than 1000g/l. whereas the solubility range of the substance was found to be in the range of 200 – 1000g/l in case of acetone acetonitrile,ethanol and 100-200 g/l in case of methanol respectively and hence, the substance is determine to be very soluble.
- Executive summary:
The solubility determination of test substance benzyl propionate (CAS No. 122-63-4 ) in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in toluene and DMF was found to be greater than 1000 g/l whereas the solubility value in acetone, acetonitrile and ethanol was found to be in the range of 200 – 1000g/l and 100-200 g/l in methanol, respectively at 20 °C. Hence, the substance was determine to be highly soluble in all the organic solvents tested.
Reference
Description of key information
The solubility determination of test substance benzyl propionate (CAS No. 122-63-4 ) in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in toluene and DMF was found to be greater than 1000 g/l whereas the solubility value in acetone, acetonitrile and ethanol was found to be in the range of 200 – 1000g/l and 100-200 g/l in methanol, respectively at 20 °C. Hence, the substance was determine to be highly soluble in all the organic solvents tested.
Key value for chemical safety assessment
- At the temperature of:
- 20 °C
- Solubility in organic solvents at 20°C:
- 1 000 g/L
Additional information
The solubility determination of test substance benzyl propionate (CAS No. 122-63-4 ) in various organic solvents was done with acetone, acetonitrile, methanol, ethanol, toluene and Dimethylformamide (DMF). The solubility of the test substance in toluene and DMF was found to be greater than 1000 g/l whereas the solubility value in acetone, acetonitrile and ethanol was found to be in the range of 200 – 1000g/l and 100-200 g/l in methanol, respectively at 20 °C. Hence, the substance was determine to be highly soluble in all the organic solvents tested.
From other reliable sources, solubility of benzyl propionate in ethanol at 26°C was concluded to be 100000 mg/L & solubility of benzyl propionate in Petroleum ether at 26°C was determine to be 10000 mg/L
indicating that it is very soluble.
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