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8.20820 Supelco

Isobutyl methyl ketone

EMPLURA®

Synonym: 4-Methyl-2-pentanone, Isobutyl methyl ketone, Isopropylacetone, MIBK, Methyl isobutyl ketone

  • CAS Number 108-10-1

  • Linear Formula (CH3)2CHCH2COCH3

  • Molecular Weight 100.16

  •  Beilstein/REAXYS Number 605399

  •  MDL number MFCD00008938

  •  EC Index Number 203-550-1

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Properties

Quality Level   200
vapor density   3.5 (vs air)
assay   ≥99% (GC)
form   liquid
autoignition temp.   840 °F
potency   2080 mg/kg LD50, oral (Rat)
  >16000 mg/kg LD50, skin (Rabbit)
expl. lim.   1.2-8 %, 93 °F
refractive index   n20/D 1.395 (lit.)
pH   7 (20 °C)
bp   117-118 °C
mp   −80 °C (lit.)
transition temp   flash point 14 °C
solubility   14.1 g/L
density   0.801 g/mL at 25 °C (lit.)
SMILES string   CC(C)CC(C)=O
InChI   1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3
InChI key   NTIZESTWPVYFNL-UHFFFAOYSA-N
storage conditions   Store at +5°C to +30°C.

Description

Analysis Note

Purity (GC): ≥ 99.0 %
Identity (IR): conforms
Density (d 20 °C/ 4 °C): 0.800 - 0.802

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EMPLURA is a registered trademark of Merck KGaA, Darmstadt, Germany

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