3-PHENOXYPROPANOIC ACID
3-Benzoylpropionic acid
CAS: 2051-95-8
Molecular Formula: C10H10O3
3-PHENOXYPROPANOIC ACID - Names and Identifiers
| Name | 3-Benzoylpropionic acid |
| Synonyms | LABOTEST-BB LT00452552 4-oxo-4-phenylbutanoate 3-BENZOYLPROPIONIC ACID 3-phenoxypropanoic acid B-BENZOYLPROPIONIC ACID 3-Benzoylpropionic acid γ-Oxo-benzenebutanoic acid 4-OXO-4-PHENYLBUTYRIC ACID BETA-BENZOYLPROPIONIC ACID 4-oxo-4-phenylbutanoic acid 4-OXO-4-PHENYLBUTANOIC ACID gamma-oxo-benzenebutanoicaci gamma-oxo-benzenebutanoic acid 2-(3-Carboxyphenyl) Propionic Acid |
| CAS | 2051-95-8 |
| EINECS | 218-135-0 |
| InChI | InChI=1/C10H10O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)/p-1 |
3-PHENOXYPROPANOIC ACID - Physico-chemical Properties
| Molecular Formula | C10H10O3 |
| Molar Mass | 178.18 |
| Density | 1.1601 (rough estimate) |
| Melting Point | 114-117°C(lit.) |
| Boling Point | 270.41°C (rough estimate) |
| Flash Point | 185.6°C |
| Solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| Vapor Presure | 8.39E-06mmHg at 25°C |
| Appearance | White crystal |
| Color | White to cream |
| BRN | 639757 |
| pKa | 4.53±0.17(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.5370 (estimate) |
| MDL | MFCD00002792 |
| Physical and Chemical Properties | White crystals. Melting point 116 °c. |
| Use | Used as a pharmaceutical Intermediate |
3-PHENOXYPROPANOIC ACID - Risk and Safety
| Risk Codes | R36/37/38 - Irritating to eyes, respiratory system and skin. R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29183000 |
3-PHENOXYPROPANOIC ACID - Reference Information
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | fungicide, oligonucleotide synthesis reagent. Used as a pharmaceutical intermediate |
| production method | succinic anhydride and dry thiophene-free benzene react in the presence of anhydrous aluminum trichloride, heat and reflux for half an hour, cool and add water, Distillate with steam to remove benzene, filter, and acidify the filtrate with concentrated hydrochloric acid to precipitate 3-benzoylpropionic acid. |
Last Update：2024-04-09 15:16:48
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