3-BENZOYLPROPIONIC ACID
Synonym(s):3-Benzoylpropionic acid;4-Oxo-4-phenylbutyric acid
- CAS NO.：2051-95-8
- Empirical Formula: C10H10O3
- Molecular Weight: 178.18
- MDL number: MFCD00002792
- EINECS: 218-135-0
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
What is 3-BENZOYLPROPIONIC ACID?
Chemical properties
white to cream crystalline powder
Definition
ChEBI: A 4-oxo monocarboxylic acid that is butyric acid bearing oxo and phenyl substituents at position 4.
Synthesis Reference(s)
Journal of Medicinal Chemistry, 9, p. 52, 1966 DOI: 10.1021/jm00319a013
Journal of the American Chemical Society, 69, p. 11, 1947 DOI: 10.1021/ja01193a003
Tetrahedron Letters, 5, p. 2777, 1964
Properties of 3-BENZOYLPROPIONIC ACID
| Melting point: | 114-117 °C(lit.) |
| Boiling point: | 270.41°C (rough estimate) |
| Density | 1.1601 (rough estimate) |
| refractive index | 1.5370 (estimate) |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| pka | 4.53±0.17(Predicted) |
| form | Crystalline Powder |
| color | White to cream |
| BRN | 639757 |
| CAS DataBase Reference | 2051-95-8(CAS DataBase Reference) |
| EPA Substance Registry System | Benzenebutanoic acid, .gamma.-oxo- (2051-95-8) |
Safety information for 3-BENZOYLPROPIONIC ACID
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-BENZOYLPROPIONIC ACID
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