537691

2,6-Dimethyl-4-heptanone

technical grade

• Synonym(s): Diisobutyl ketone, Isovalerone
• Linear Formula: (CH₃)₂CHCH₂COCH₂CH(CH₃)₂
• CAS Number: 108-83-8
• Molecular Weight: 142.24
• Beilstein: 1743163
• MDL number: MFCD00008940
• UNSPSC Code: 12352100
• PubChem Substance ID: 24878243
• NACRES: NA.22

Properties

• grade: technical grade
• Quality Level: 100
• vapor density: 4.9 (vs air)
• vapor pressure: 1.7 mmHg ( 20 °C)
• autoignition temp.: 745 °F
• composition:
  • 2,6-Dimethyl-4-heptanone (main component)
  • 4,6-Dimethyl-2-heptanone (secondary component)
  • 3,3,5-Trimethylcyclohexanone (minor component)
• expl. lim.: 0.8-6.2 %, 100 °F
• refractive index: n20/D 1.412 (lit.)
• bp: 165-170 °C (lit.)
• density: 0.808 g/mL at 25 °C (lit.)
• functional group: ketone
• SMILES string: CC(C)CC(=O)CC(C)C
• InChI: 1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3
• InChI key: PTTPXKJBFFKCEK-UHFFFAOYSA-N

Description

General description

2,6-Dimethyl-4-heptanone (di-i-butyl ketone) is widely employed as an industrial solvent. It undergoes gas-phase reaction with the OH radical in the presence of NO_x to afford acetone and 2-methylpropanal. 2,6-Dimethyl-4-heptanone is formed as a product during the thermal degradation of Yttrium(III) isovalerate Y.

Application

2,6-Dimethyl-4-heptanone may be employed as a diluent for the isolation of pentanedioic acid by using Amberlite LA-2.

Safety Information

• Pictograms: GHS02,GHS07
• Signal Word: Warning
• Hazard Statements: H226,H335
• Precautionary Statements: P210 - P233 - P240 - P241 - P242 - P243
• Hazard Classifications: Flam. Liq. 3 - STOT SE 3
• Target Organs: Respiratory system
• Storage Class Code: 3 - Flammable liquids
• WGK: WGK 3
• Flash Point(F): 120.2 °F - closed cup
• Flash Point(C): 49 °C - closed cup
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves