116807

3-Phenylbutyric acid

98%

• Synonym(s): (±)-3-Phenylbutyric acid, (±)-β-Methylhydrocinnamic acid
• Linear Formula: CH₃CH(C₆H₅)CH₂COOH
• CAS Number: 4593-90-2
• Molecular Weight: 164.20
• Beilstein/REAXYS Number: 2044322
• EC Number: 224-987-4
• MDL number: MFCD00002725
• UNSPSC Code: 12352100
• PubChem Substance ID: 24847305
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 98%
• form: solid
• bp: 170-172 °C/20 mmHg (lit.)
• mp: 35-38 °C (lit.)
• density: 1.515 g/mL at 25 °C (lit.)
• functional group: carboxylic acid; phenyl
• SMILES string: CC(CC(O)=O)c1ccccc1
• InChI: 1S/C10H12O2/c1-8(7-10(11)12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)
• InChI key: ZZEWMYILWXCRHZ-UHFFFAOYSA-N

Description

General description

3-Phenylbutyric acid is a metabolite of the oxidation of sec-octylbenzene.

Application

3-Phenylbutyric acid is used to isolate Rhodococcus rhodochrous PB1 from compost soil.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)