3-Phenylpropionic acid , >99.0%(GC) , 501-52-0

Synonym(s):
3-Phenylpropionic acid;Benzylacetic acid;Hydrocinnamic acid

CAS NO.：501-52-0

Empirical Formula: C9H10O2

Molecular Weight: 150.17

MDL number: MFCD00002771

EINECS: 207-924-5

PRODUCT Properties

• Melting point: 45-48 °C (lit.)
• Boiling point: 280 °C (lit.)
• Density: 1.071 g/mL at 25 °C (lit.)
• vapor pressure: 0.356Pa at 25℃
• FEMA: 2889 | 3-PHENYLPROPIONIC ACID
• refractive index: 1.5408 (estimate)
• Flash point: >230 °F
• storage temp.: Sealed in dry,Room Temperature
• solubility: 0.6% soluble in water, soluble in alcohol, Propylene glycol, Glycerin and oils
• form: Liquid
• pka: 4.66(at 25℃)
• Specific Gravity: 1.071
• color: Clear yellow to yellow-green
• Odor: Very faint, warm-balsamic and sweet odor of Coumarin-Vanillin-type
• biological source: synthetic
• Odor Type: floral
• Water Solubility: Soluble in water
• Merck: 14,4784
• JECFA Number: 646
• BRN: 907515
• Major Application: cleaning products; cosmetics; flavors and fragrances; food and beverages; personal care
• InChI: 1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
• InChIKey: XMIIGOLPHOKFCH-UHFFFAOYSA-N
• SMILES: OC(=O)CCc1ccccc1
• LogP: 1.153 at 25℃
• CAS DataBase Reference: 501-52-0(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Phenylpropanoic acid(501-52-0)
• EPA Substance Registry System: Hydrocinnamic acid (501-52-0)

Description and Uses

Used in the compositions for the treatment of blood disorders using α-methylhydrocinnamic acid.
Hydrocinnamic acid was used in the synthesis of three medium-chain acyl-Coenzyme A′s i.e. 3-phenylpropionyl-CoA from mixed anhydrides of fatty acids.

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a
• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 22-24/25-37/39-26
• WGK Germany: 3
• RTECS: DA8600000
• TSCA: TSCA listed
• HS Code: 29163900
• Storage Class: 11 - Combustible Solids