| 3-PHENYLBUTYRIC ACID Basic information |
| Product Name: | 3-PHENYLBUTYRIC ACID |
| Synonyms: | (/-)-3-PHENYLBUTYRIC ACID;BETA-PHENYL-N-BUTYRIC ACID;(+/-)-BETA-METHYLHYDROCINNAMIC ACID;RARECHEM AL BE 0683;(+/-)-3-PHENYLBUTYRIC ACID;3-PHENYLBUTYRIC ACID;3-Phenylbutanoic acid;Benzenepropanoic acid, beta-methyl- |
| CAS: | 4593-90-2 |
| MF: | C10H12O2 |
| MW: | 164.2 |
| EINECS: | 224-987-4 |
| Product Categories: | C10;Carbonyl Compounds;Building Blocks;Carboxylic Acids;Chemical Synthesis;Organic Building Blocks |
| Mol File: | 4593-90-2.mol |
| 3-PHENYLBUTYRIC ACID Chemical Properties |
| Melting point | 35-38 °C(lit.) |
| Boiling point | 170-172 °C20 mm Hg(lit.) |
| density | 1.515 g/mL at 25 °C(lit.) |
| refractive index | 1.5160 (estimate) |
| Fp | 77 °F |
| pka | 4.67±0.10(Predicted) |
| Water Solubility | 9.254g/L(30 ºC) |
| BRN | 2044322 |
| CAS DataBase Reference | 4593-90-2(CAS DataBase Reference) |
| Safety Information |
| Hazard Codes | Xi,F |
| Risk Statements | 36/37/38-10 |
| Safety Statements | 22-24/25-36-26-16 |
| RIDADR | 1325 |
| WGK Germany | 3 |
| HazardClass | 4.1 |
| PackingGroup | III |
| HS Code | 2916399090 |
| MSDS Information |
| Provider | Language |
|---|---|
| SigmaAldrich | English |
| ALFA | English |
| 3-PHENYLBUTYRIC ACID Usage And Synthesis |
| Uses | 3-Phenylbutyric acid is used to isolate Rhodococcus rhodochrous PB1 from compost soil. |
| Synthesis Reference(s) | Tetrahedron Letters, 21, p. 2181, 1980 DOI: 10.1016/S0040-4039(00)78992-1 |
| General Description | 3-Phenylbutyric acid is a metabolite of the oxidation of sec-octylbenzene. |
| 3-PHENYLBUTYRIC ACID Preparation Products And Raw materials |
| Raw materials | Hydrochloric acid-->Tetrahydrofuran-->n-Butyllithium-->Bromobenzene-->Crotonic acid |
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