8.20820

Isobutyl methyl ketone

EMPLURA^®

• Synonym(s): 4-Methyl-2-pentanone, Isobutyl methyl ketone, Isopropylacetone, MIBK, Methyl isobutyl ketone
• Linear Formula: (CH₃)₂CHCH₂COCH₃
• CAS Number: 108-10-1
• Molecular Weight: 100.16
• Beilstein/REAXYS Number: 605399
• MDL number: MFCD00008938
• UNSPSC Code: 12352115
• EC Index Number: 203-550-1
• NACRES: NA.05

Properties

• vapor density: 3.5 (vs air)
• Quality Level: 200
• product line: EMPLURA^®
• 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.)
• storage temp.: 2-30°C
• 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

Description

Analysis Note

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

Legal Information

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

Safety Information

• pictograms: GHS02,GHS08,GHS07
• signalword: Danger
• hcodes: H225,H319,H332,H336,H351
• pcodes: P202 - P210 - P233 - P304 + P340 + P312 - P305 + P351 + P338 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Inhalation - Carc. 2 Inhalation - Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
• target_organs: Central nervous system
• supp_hazards: EUH066
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 1
• flash_point_f: 57.2 °F - closed cup
• flash_point_c: 14 °C - closed cup