W288918

3-Phenylpropionic acid

99%, FG

• Synonym(s): Hydrocinnamic acid, 3-Phenylpropionic acid, Benzylacetic acid
• Linear Formula: C₆H₅CH₂CH₂COOH
• CAS Number: 501-52-0
• Molecular Weight: 150.17
• FEMA Number: 2889
• Beilstein: 907515
• EC Number: 207-924-5
• Council of Europe no.: 32
• MDL number: MFCD00002771
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901377
• Flavis number: 8.032
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG; Fragrance grade; Halal; Kosher
• Agency: follows IFRA guidelines
• reg. compliance: EU Regulation 1223/2009; EU Regulation 1334/2008 & 872/2012; FDA 21 CFR 172.515
• Assay: 99%
• bp: 280 °C (lit.)
• mp: 45-48 °C (lit.)
• density: 1.071 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• fragrance allergen: no known allergens
• Organoleptic: floral; rose; sweet
• SMILES string: OC(=O)CCc1ccccc1
• InChI: 1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
• InChI key: XMIIGOLPHOKFCH-UHFFFAOYSA-N

Description

General description

3-Phenylpropionic acid has been identified as a volatile constituent of grapes and Nam-pla fermented fish sauce.

Application

• Metabolic signatures of β-cell destruction in type 1 diabetes.: This study investigates the metabolic changes associated with β-cell destruction in type 1 diabetes, highlighting the role of various metabolites, including 3-Phenylpropionic acid, in the disease pathology (Noso et al., 2023).

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 1
• Flash Point(F): 230.0 °F
• Flash Point(C): 110 °C
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves