W322400

2-Phenyl-2-butenal, mixture of cis and trans

≥97%, FG

• Synonym(s): cocoa butenal
• Linear Formula: CH₃CH=C(C₆H₅)CHO
• CAS Number: 4411-89-6
• Molecular Weight: 146.19
• FEMA Number: 3224
• EC Number: 224-567-0
• Council of Europe no.: 670
• MDL number: MFCD00053158
• UNSPSC Code: 12164502
• PubChem Substance ID: 329830508
• Flavis number: 5.062
• NACRES: NA.21

Properties

• biological source: synthetic
• grade: FG; Halal
• Agency: meets purity specifications of JECFA
• reg. compliance: EU Regulation 1334/2008 & 178/2002; FDA 21 CFR 117
• Assay: ≥97%
• refractive index: n20/D 1.561 (lit.)
• bp: 177 °C/15 mmHg (lit.)
• density: 1.034 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• Documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• Organoleptic: cocoa; honey; musty; floral
• SMILES string: [H]C(=O)C(=CC)c1ccccc1
• InChI: 1S/C10H10O/c1-2-9(8-11)10-6-4-3-5-7-10/h2-8H,1H3
• InChI key: DYAOGZLLMZQVHY-UHFFFAOYSA-N

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H315,H319,H335
• Precautionary Statements: 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 Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point(F): 222.8 °F
• Flash Point(C): 106 °C