5-Methyl-3-heptanone
ALDRICH/67260 - ≥94% (GC)
Synonym: Ethyl isoamyl ketone
CAS Number: 541-85-5
Empirical Formula (Hill Notation): C8H16O
Molecular Weight: 128.21
EC Number: 208-793-7
MDL Number: MFCD00009340
Linear Formula: CH3CH2CH(CH3)CH2COCH2CH3
Product Type: Chemical
| assay | ≥94% (GC) |
| bp | 157-162 °C (lit.) |
| density | 0.823 g/mL at 25 °C (lit.) |
| functional group | ketone |
| InChI | 1S/C8H16O/c1-4-7(3)6-8(9) |
| InChI key | PSBKJPTZCVYXSD-UHFFFAOYSA |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | CCC(C)CC(=O)CC |
| Application: | • 5-Methyl-3-heptanone can be converted into the corresponding gem-dihydroperoxide using aqueous hydrogen peroxide and chlorosulfonic acid as a catalyst at room temperature. • It can be reduced to its corresponding alcohol using sodium borohydride in urea/choline chloride eutectic salt. • It can undergo condensation with tert-butyl-sulfinamide to form the corresponding chiral tert-butyl-sulfinyl-ketimine, which can further react with ylides derived from trimethylsulfonium iodide and S-allyl tetrahydrothiophenium bromide to form highly substituted chiral aziridines. |
| Packaging: | 1 L in glass bottle |
| Symbol |   GHS02,GHS07 |
| Signal word | Warning |
| Hazard statements | H226 - H319 - H335 |
| Precautionary statements | P210 - P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Statements | 10-36/37 |
| Safety Statements | 23 |
| RIDADR | UN 2271 3 / PGIII |
| WGK Germany | WGK 1 |
| Flash Point(F) | 111.2 °F - closed cup |
| Flash Point(C) | 44 °C - closed cup |
| Purity | ≥94% (GC) |
| bp | 157-162 °C (lit.) |
| Density | 0.823 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12352100 |