3-PHENYLBUTYRIC ACID
Synonym(s):(±)-β-Methylhydrocinnamic acid;(±)-3-Phenylbutyric acid
- CAS NO.：4593-90-2
- Empirical Formula: C10H12O2
- Molecular Weight: 164.2
- MDL number: MFCD00002725
- EINECS: 224-987-4
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-19 20:33:22
What is 3-PHENYLBUTYRIC ACID?
The Uses of 3-PHENYLBUTYRIC ACID
3-Phenylbutyric acid is used to isolate Rhodococcus rhodochrous PB1 from compost soil.
Definition
ChEBI: 3-phenylbutyric acid is a monocarboxylic acid that is butanoic acid substituted by a phenyl group at position 3. It has a role as an antibacterial agent and a bacterial xenobiotic metabolite. It is a member of benzenes and a monocarboxylic acid. It is functionally related to a 3-phenylpropionic acid.
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.
Properties of 3-PHENYLBUTYRIC ACID
| 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) |
| Flash point: | 77 °F |
| storage temp. | Store at -20°C |
| form | Solid |
| pka | 4.67±0.10(Predicted) |
| color | White to off-white |
| Water Solubility | 9.254g/L(30 ºC) |
| BRN | 2044322 |
| CAS DataBase Reference | 4593-90-2(CAS DataBase Reference) |
Safety information for 3-PHENYLBUTYRIC 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 |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. 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-PHENYLBUTYRIC ACID
3-PHENYLBUTYRIC ACID manufacturer
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