5-Methyl-3-hexen-2-one
ALDRICH/187607 - technical grade, 75%
CAS Number: 5166-53-0
Empirical Formula (Hill Notation): C7H12O
Molecular Weight: 112.17
MDL Number: MFCD00012166
Linear Formula: (CH3)2CHCH=CHCOCH3
Product Type: Chemical
| assay | 75% |
| density | 0.85 g/mL at 25 °C (lit.) |
| form | liquid |
| functional group | ketone |
| grade | technical grade |
| impurities | <25% 5-methyl-4-hexen-2-one |
| InChI | 1S/C7H12O/c1-6(2)4-5-7(3) |
| InChI key | IYMKNYVCXUEFJE-SNAWJCMRSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CC(C)C=CC(C)=O |
| Application: | 5-Methyl-3-hexen-2-one was used in combinatorial synthesis of mercaptoketones and mercaptoalcohols. |
| General description: | 5-methyl-3-hexen-2-one reacts with indole in the presence of pyrrolidine and p-TsOH in CH2Cl2 to yield the 3-substituted indole adduct. |
| Packaging: | 25 g in glass bottle |
| Symbol |   GHS02,GHS06 |
| Signal word | Danger |
| Hazard statements | H226 - H302 + H332 - H311 |
| Precautionary statements | P210 - P280 - P301 + P312 + P330 - P302 + P352 + P312 - P304 + P340 + P312 |
| Hazard Codes | T |
| Risk Statements | 10-20/22-24 |
| Safety Statements | 36/37-45 |
| RIDADR | UN 1992 6.1(3) / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 118.4 °F - closed cup |
| Flash Point(C) | 48 °C - closed cup |
| Purity | 75% |
| Density | 0.85 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |