2-Phenyl-2-butenal, mixture of cis and trans
ALDRICH/W322400 - ≥97%, FG
Synonym: cocoa butenal
CAS Number: 4411-89-6
Empirical Formula (Hill Notation): C10H10O
Molecular Weight: 146.19
EC Number: 224-567-0
MDL Number: MFCD00053158
Linear Formula: CH3CH=C(C6H5)CHO
Product Type: Chemical
agency | meets purity specifications of JECFA |
application(s) | flavors and fragrances |
assay | ≥97% |
biological source | synthetic |
bp | 177 °C/15 mmHg (lit.) |
density | 1.034 g/mL at 25 °C (lit.) |
documentation | see Safety & Documentation for available documents |
food allergen | no known allergens |
grade | FG |
Halal | |
InChI | 1S/C10H10O/c1-2-9(8-11)10 |
InChI key | DYAOGZLLMZQVHY-UHFFFAOYSA |
organoleptic | cocoa; honey; musty; floral |
Quality Level | 400 ![]() |
refractive index | n |
reg. compliance | EU Regulation 1334/2008 & 178/2002 |
FDA 21 CFR 117 | |
SMILES string | [H]C(=O)C(=CC)c1ccccc1 |
Packaging: | 1 kg in glass bottle |
Packaging: | 25, 100 g in glass bottle |
Symbol | ![]() |
Signal word | Warning |
Hazard statements | H315 - H319 - H335 |
Precautionary statements | P302 + P352 - P305 + P351 + P338 |
Hazard Codes | Xi |
Risk Statements | 36/37/38 |
Safety Statements | 26 |
RIDADR | NONH for all modes of transport |
WGK Germany | WGK 3 |
Flash Point(F) | 222.8 °F |
Flash Point(C) | 106 °C |
Purity | ≥97% |
bp | 177 °C/15 mmHg (lit.) |
Density | 1.034 g/mL at 25 °C (lit.) |
Refractive Index | n |
FEMA Number | 3224 |
UNSPSC | 12164502 |