2-Phenylbutyric acid
Synonym(s):α-Ethylphenylacetic acid;(±)-2-Phenylbutyric acid
- CAS NO.：90-27-7
- Empirical Formula: C10H12O2
- Molecular Weight: 164.2
- MDL number: MFCD00002667
- EINECS: 201-982-5
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-19 20:33:22
What is 2-Phenylbutyric acid?
Chemical properties
white to yellowish adhering crystals with aromatic odor.
The Uses of 2-Phenylbutyric acid
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.
Properties of 2-Phenylbutyric acid
| Melting point: | 39-42 °C (lit.) |
| Boiling point: | 270-272 °C (lit.) |
| Density | 0,62 g/cm3 |
| refractive index | 1.5150 |
| Flash point: | >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 for 2-Phenylbutyric acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
Computed Descriptors for 2-Phenylbutyric acid
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