Registration Dossier
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EC number: 207-924-5 | CAS number: 501-52-0
Water solubility
Administrative data
Link to relevant study record(s)
- Endpoint:
- water solubility
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Justification for type of information:
- data is from experimental reports
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 105 (Water Solubility)
- Principles of method if other than guideline:
- The water solubility determination of test item 3-phenylpropionic acid (CAS No. 501-52-0) was done as per the OECD guideline 105 and by spectrophotometric analytical method as per OECD 101.
- GLP compliance:
- not specified
- Type of method:
- flask method
- Specific details on test material used for the study:
- Name of the test chemical: 3-phenylpropanoic acid
Molecular weight: 150.176 g/mol
Molecular formula: C9H10O2
SMILES: c1(CCC(O)=O)ccccc1
Substance type: Organic
Physical State: Solid - Key result
- Water solubility:
- 6 228.801 mg/L
- Conc. based on:
- test mat.
- Temp.:
- 30 °C
- Remarks on result:
- other: no additional details mentioned
- Conclusions:
- The water solubility determination of test item 3-phenylpropionic acid;CAS No.501-52-0 was doneby spectrophotometric method. The water solubility was determined to be 6228.801 mg/L at 30°C.
- Executive summary:
The water solubility determination of test item 3-phenylpropionic acid (CAS No. 501-52-0) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of 3-phenylpropionic acid (CAS: 501-52-0 )in water was determined to be 6228.801 mg/L at 30°C.
Reference
Sample stirring time (hours) |
Concentration obtained on the basis of standard curve (mg/l) |
Dilution factor |
Solubility value obtained (mg/l) |
24 |
- |
- |
- |
48 |
319.3482 |
20 |
6386.964 |
72 |
305.5319 |
20 |
6070.638 |
Considering the water solubility for 48 hrs and 72 hrs the mean water solubility was calculated as follows:
Mean water solubility value for 48 hour run sample + 72 hour run sample
=(6386.964+6070.638)/2
=6228.801 mg/L
Description of key information
The water solubility determination of test item 3-phenylpropionic acid (CAS No. 501-52-0) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of 3-phenylpropionic acid (CAS: 501-52-0 )in water was determined to be 6228.801 mg/L at 30°C.
Key value for chemical safety assessment
- Water solubility:
- 6 228.801 mg/L
- at the temperature of:
- 30 °C
Additional information
The water solubility determination of test item 3-phenylpropionic acid (CAS No. 501-52-0) was done as per the OECD guideline 105 byspectrophotometric analytical method as per OECD 101. The solubility of 3-phenylpropionic acid (CAS: 501-52-0 )in water was determined to be 6228.801 mg/L at 30°C.
The experimental water solubility of 3-phenylpropanoic acid at 20 deg C was 5900 mg/l
The estimated water solubility of 3-phenylpropanoic acid at 25 deg C was 5046 mg/l.
The experimental and estimated values suggest that 3-phenylpropanoic acid is soluble in water.
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