67260

5-Methyl-3-heptanone

≥94% (GC)

• Synonym(s): Ethyl isoamyl ketone
• Linear Formula: CH₃CH₂CH(CH₃)CH₂COCH₂CH₃
• CAS Number: 541-85-5
• Molecular Weight: 128.21
• Beilstein/REAXYS Number: 506345
• EC Number: 208-793-7
• MDL number: MFCD00009340
• UNSPSC Code: 12352100
• PubChem Substance ID: 57652074
• NACRES: NA.22

Properties

• assay: ≥94% (GC)
• refractive index: n20/D 1.414 (lit.)
• bp: 157-162 °C (lit.)
• density: 0.823 g/mL at 25 °C (lit.)
• functional group: ketone
• SMILES string: CCC(C)CC(=O)CC
• InChI: 1S/C8H16O/c1-4-7(3)6-8(9)5-2/h7H,4-6H2,1-3H3
• InChI key: PSBKJPTZCVYXSD-UHFFFAOYSA-N

Description

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.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H319,H335
• pcodes: P210 - P233 - P240 - P241 - P242 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 3 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 111.2 °F - closed cup
• flash_point_c: 44 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter