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5-Methyl-2-hexanone Structure

5-Methyl-2-hexanone

Chemical Properties

Melting point -74 °C
Boiling point 145 °C (lit.)
Density  0.814 g/mL at 25 °C (lit.)
vapor density  3.94 (vs air)
vapor pressure  4.5 mm Hg ( 20 °C)
refractive index  n20/D 1.406(lit.)
Flash point 106 °F
storage temp.  Store below +30°C.
solubility  water: soluble5.4g/L at 25°C
form  Liquid
color  Clear colorless
Odor pleasant odor
Odor Threshold 0.0021ppm
explosive limit 1.35-8.2%, 93°F
Water Solubility  5.4 g/L (20 ºC)
BRN  506163
Henry's Law Constant 6.4×10-2 mol/(m3Pa) at 25℃, Brockbank (2013)
Exposure limits ACGIH:TLV-TWA 20 ppm (93 mg/m3); TLV-STEL 50 ppm (233 mg/m3)
OSHA:PEL-TWA 100 ppm (475 mg/m3)
NIOSH:REL-TWA 50 ppm
InChI 1S/C7H14O/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
InChIKey FFWSICBKRCICMR-UHFFFAOYSA-N
SMILES CC(C)CCC(C)=O
LogP 1.88 at 25℃
CAS DataBase Reference 110-12-3(CAS DataBase Reference)
NIST Chemistry Reference 2-Hexanone, 5-methyl-(110-12-3)
EPA Substance Registry System Methyl isoamyl ketone (110-12-3)

Safety Information

Hazard Codes  Xn
Risk Statements  10-20
Safety Statements  23-24/25
OEB A
OEL TWA: 50 ppm (240 mg/m3)
RIDADR  UN 2302
WGK Germany  1
RTECS  MP3850000
Autoignition Temperature 797 °F
TSCA  TSCA listed
HazardClass  3
PackingGroup  III
HS Code  29141910
Storage Class 3 - Flammable liquids
Hazard Classifications Acute Tox. 4 Inhalation
Flam. Liq. 3
Hazardous Substances Data 110-12-3(Hazardous Substances Data)
Toxicity LD50 orally in Rabbit: 3200 mg/kg LD50 dermal Rabbit 8100 mg/kg

MSDS

Usage And Synthesis

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