4-Methyl-2-phenyl-2-pentenal, mixture of cis and trans
ALDRICH/W320005 - ≥88%, stabilized
Synonym: cocoa pentenal
CAS Number: 26643-91-4
Empirical Formula (Hill Notation): C12H14O
Molecular Weight: 174.24
EC Number: 247-869-4
MDL Number: MFCD00051834
Linear Formula: (CH3)2CHCH=C(C6H5)CHO
Product Type: Chemical
| application(s) | flavors and fragrances |
| assay | ≥88% |
| biological source | synthetic |
| bp | 96 °C/0.7 mmHg (lit.) |
| density | 0.983 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| grade | Halal |
| Kosher | |
| InChI | 1S/C12H14O/c1-10(2)8-12(9 |
| InChI key | ULRYRAHIBWLZKC-XYOKQWHBSA |
| may contain | α-tocopherol, synthetic |
| organoleptic | cocoa; rose; sweet |
| Quality Level | 300  |
| 400 |
|
| refractive index | n |
| SMILES string | CC(C)C=C(/C=O)c1ccccc1 |
| Disclaimer: | For R&D or non-EU Food use. Not for retail sale. |
| Packaging: | 1 kg in glass bottle |
| Packaging: | 100 g in glass bottle |
| Packaging: | 5 kg in composite drum |
| Symbol |  GHS07 |
| Signal word | Warning |
| Hazard statements | H315 - H319 - H335 |
| Precautionary statements | P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 36/37/38 |
| Safety Statements | 26-36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | WGK 3 |
| Flash Point(F) | 235.4 °F - closed cup |
| Flash Point(C) | 113 °C - closed cup |
| Purity | ≥88% |
| bp | 96 °C/0.7 mmHg (lit.) |
| Density | 0.983 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 3200 |
| UNSPSC | 12164502 |