| 2-Phenylbutyric acid Basic information |
| Product Name: | 2-Phenylbutyric acid |
| Synonyms: | 2-phenyl-butyricaci;alpha-Phenylbutyric acid;alpha-phenylbutyricacid;alpha-Toluic acid, alpha-ethyl-;Butyric acid, 2-phenyl-;RARECHEM AL BO 0093;Phenobarbital Impurity 3;A-ETHYLPHENYLACETIC ACID |
| CAS: | 90-27-7 |
| MF: | C10H12O2 |
| MW: | 164.2 |
| EINECS: | 201-982-5 |
| Product Categories: | Aromatics, Metabolites & Impurities, Pharmaceuticals, Intermediates & Fine Chemicals;Aromatics;Organic acids;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals |
| Mol File: | 90-27-7.mol |
| 2-Phenylbutyric acid Chemical Properties |
| Melting point | 39-42 °C (lit.) |
| Boiling point | 270-272 °C (lit.) |
| density | 0,62 g/cm3 |
| refractive index | 1.5150 |
| Fp | >230 °F |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 4.34±0.10(Predicted) |
| color | White adhering crystalline powder |
| Water Solubility | insoluble |
| BRN | 509876 |
| CAS DataBase Reference | 90-27-7(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzeneacetic acid, «alpha»-ethyl-(90-27-7) |
| EPA Substance Registry System | Benzeneacetic acid, .alpha.-ethyl- (90-27-7) |
| Safety Information |
| Hazard Codes | Xn |
| Risk Statements | 22-20/21/22 |
| Safety Statements | 22-36 |
| WGK Germany | 3 |
| RTECS | ET5957500 |
| TSCA | Yes |
| HS Code | 29163900 |
| Toxicity | LD50 orl-mus: 1154 mg/kg BCFAAI 100,143,61 |
| MSDS Information |
| Provider | Language |
|---|---|
| alpha-Ethylphenylacetic acid | English |
| SigmaAldrich | English |
| ACROS | English |
| ALFA | English |
| 2-Phenylbutyric acid Usage And Synthesis |
| Chemical Properties | white to yellowish adhering crystals with aromatic odor. |
| Uses | 2-Phenylbutyric Acid is a metabolite of Butamirate. It exists in all living organisms, ranging from bacteria to humans. It is used as an antihyperlipidemic drug. |
| Definition | ChEBI: 2-phenylbutyric acid is a monocarboxylic acid that is butyric acid substituted by a phenyl group at position 2. It has a role as a human xenobiotic metabolite. It is a monocarboxylic acid and a member of benzenes. It derives from a butyric acid. |
| Synthesis Reference(s) | Chemical and Pharmaceutical Bulletin, 31, p. 2564, 1983 DOI: 10.1248/cpb.31.2564 |
| Safety Profile | Poison by intravenous route. Moderately toxic by ingestion, intraperitoneal, and subcutaneous routes. A combustible liquid. When heated to decomposition it emits acrid smoke and irritating fumes. |
| 2-Phenylbutyric acid Preparation Products And Raw materials |
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