537705

5-Methyl-2-hexanone

99%

• Synonym(s): MIAK, Isobutylacetone, Isopentyl methyl ketone
• Linear Formula: (CH₃)₂CHCH₂CH₂COCH₃
• CAS Number: 110-12-3
• Molecular Weight: 114.19
• Beilstein/REAXYS Number: 506163
• EC Number: 203-737-8
• MDL number: MFCD00008950
• UNSPSC Code: 12352115
• PubChem Substance ID: 329757991
• NACRES: NA.21
• assay: 99%
• bp: 145 °C (lit.)
• vapor pressure: 4.5 mmHg ( 20 °C)

Properties

• vapor density: 3.94 (vs air)
• Quality Level: 100
• vapor pressure: 4.5 mmHg ( 20 °C)
• assay: 99%
• form: liquid
• autoignition temp.: 797 °F
• expl. lim.: 1.35-8.2 %, 93 °F
• impurities: ≤0.05% (water)
• refractive index: n20/D 1.406 (lit.)
• bp: 145 °C (lit.)
• mp: -74 °C
• solubility: water: soluble 5.4 g/L at 25 °C
• density: 0.814 g/mL at 25 °C (lit.)
• SMILES string: CC(C)CCC(C)=O
• InChI: 1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
• InChI key: FFWSICBKRCICMR-UHFFFAOYSA-N

Description

General description

5-Methyl-2-hexanone (methyl isoamyl ketone, MIAK) is an aliphatic ketone. Its ability to elicit germination response in uredospores of certain species of rust has been investigated. The near-UV absorption cross section and absorption spectrum of MIAK were measured and employed to determine its photolysis lifetime. The dynamics of the Norrish Type-II reaction of MIAK has been studied using femtosecond time-resolved mass spectrometry.

Application

5-Methyl-2-hexanone may be used to synthesize N,N′-bis(1,4-dimethylpentyl)-p-phenylenediamine (BMPPD) via reductive alkylation of p-nitroaniline in the presence of copper-based catalysts.

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H332
• pcodes: P210 - P233 - P240 - P241 - P242 - P304 + P340 + P312
• Hazard Classifications: Acute Tox. 4 Inhalation - Flam. Liq. 3
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 104.0 °F - closed cup
• flash_point_c: 40 °C - closed cup