5-Methyl-2-hepten-4-one, predominantly trans
ALDRICH/W376108 - 98%, stabilized, FG
Synonym: Hazelnut ketone
CAS Number: 81925-81-7
Empirical Formula (Hill Notation): C8H14O
Molecular Weight: 126.20
MDL Number: MFCD00792509
Linear Formula: C2H5CH(CH3)COCH=CHCH3
Product Type: Chemical
| agency | meets purity specifications of JECFA |
| application(s) | flavors and fragrances |
| assay | 98% |
| biological source | synthetic |
| bp | 170 °C (lit.) |
| density | 0.845 g/mL at 25 °C (lit.) |
| documentation | see Safety & Documentation for available documents |
| food allergen | no known allergens |
| grade | FG |
| Halal | |
| Kosher | |
| InChI | 1S/C8H14O/c1-4-6-8(9)7(3) |
| InChI key | ARJWAURHQDJJAC-GQCTYLIASA |
| may contain | <0.50% alpha-tocopherol, synthetic as stabilizer |
| organoleptic | hazelnut; pungent; nutty |
| Quality Level | 400  |
| refractive index | n |
| reg. compliance | EU Regulation 1334/2008 & 178/2002 |
| SMILES string | CCC(C)C(/C=C/C)=O |
| General description: | 5-Methyl-2-hepten-4-one predominantly trans is the characteristic aroma compound of hazelnuts.[113} |
| Symbol |  GHS02 |
| Signal word | Warning |
| Hazard statements | H226 |
| Precautionary statements | P210 - P233 - P240 - P241 - P242 - P243 |
| Risk Statements | 10 |
| Safety Statements | 16 |
| RIDADR | UN1224 - class 3 - PG 3 - Ketones, liquid, n.o.s., HI: all |
| WGK Germany | WGK 2 |
| Flash Point(F) | 141.8 °F |
| Flash Point(C) | 61 °C |
| Purity | 98% |
| bp | 170 °C (lit.) |
| Density | 0.845 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| FEMA Number | 3761 |
| UNSPSC | 12164502 |