2-Heptanone

2-Heptanone
Names
Preferred IUPAC name
Heptan-2-one
Other names
Amyl methyl ketone
Butyl acetone
Methyl n-amyl ketone
Methyl pentyl ketone
Identifiers
3D model (JSmol)
ChEBI
ChEMBL
ChemSpider
ECHA InfoCard 100.003.426
KEGG
UNII
  • InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3 Y
    Key: CATSNJVOTSVZJV-UHFFFAOYSA-N Y
  • InChI=1/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
    Key: CATSNJVOTSVZJV-UHFFFAOYAO
  • O=C(C)CCCCC
Properties
C7H14O
Molar mass 114.18 g/mol
Appearance Clear liquid
Odor banana-like, fruity
Density 0.8 g/mL
Melting point −35.5 °C (−31.9 °F; 237.7 K)
Boiling point 151 °C (304 °F; 424 K)
0.4% by wt
Vapor pressure 3 mmHg (20 °C)
−80.50·10−6 cm3/mol
Hazards
Flash point 39 °C (102 °F; 312 K)
393 °C (739 °F; 666 K)
Explosive limits 1.1% at 151 °F (66 °C) - 7.9% at 250 °F (121 °C)
Lethal dose or concentration (LD, LC):
1670 mg/kg (rat, oral)
750 mg/kg (mouse, oral)
4000 ppm (rat, 4 hr)
2000 ppm (guinea pig, 14.8 hr)
NIOSH (US health exposure limits):
PEL (Permissible)
TWA 100 ppm (465 mg/m3)
REL (Recommended)
TWA 100 ppm (465 mg/m3)
IDLH (Immediate danger)
800 ppm
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Y verify (what is YN ?)
Infobox references

2-Heptanone, also known as methyl n-amyl ketone, or heptan-2-one, is an organic compoundwith the molecular formula CH3C(O)(CH2)4CH3. It is classified as a ketone. The compound is a colorless, water-like liquid with a banana-like, fruity odor. It contributes to the flavor or odor of several aspects of everyday life.