4-Heptanone

4-Heptanone or heptan-4-one is an organic compound with the formula (CH3CH2CH2)2CO. It is a colorless liquid.

4-Heptanone
Names
Preferred IUPAC name
Heptan-4-one
Other names
Dipropyl ketone, Butyrone, DPK, Propyl ketone
Identifiers
3D model (JSmol)
ChEBI
ChemSpider
ECHA InfoCard 100.004.191
EC Number
  • 204-608-9
RTECS number
  • MJ5600000
UNII
UN number 2710
  • InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3 checkY
    Key: HCFAJYNVAYBARA-UHFFFAOYSA-N checkY
  • O=C(CCC)CCC
Properties
C7H14O
Molar mass 114.188 g·mol−1
Appearance Colorless liquid
Density 0.82 g/mL
Melting point −32.8 °C (−27.0 °F; 240.3 K)
Boiling point 143.9 °C (291.0 °F; 417.0 K)
Vapor pressure 5 mmHg (20°C)
-80.45·10−6 cm3/mol
Hazards
Occupational safety and health (OHS/OSH):
Main hazards
 Combustible[1]
GHS labelling:
GHS02: FlammableGHS07: Exclamation mark
Warning
H226, H332
P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P312, P304+P340, P312, P370+P378, P403+P235, P501
NFPA 704 (fire diamond)
NFPA 704 four-colored diamond
1
2
0
Flash point 48.9 °C (120.0 °F; 322.0 K)
NIOSH (US health exposure limits):
PEL (Permissible)
 none[1]
REL (Recommended)
 TWA 50 ppm (235 mg/m3)[1]
IDLH (Immediate danger)
 N.D.[1]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
checkY verify (what is checkY☒N ?)
Infobox references

Synthesis

The compound is synthesized by ketonization, involving the pyrolysis of iron(II) butyrate. [2]

Butyrone is used in the synthesis of 3-propylthio-4-heptanol [1838-73-9],[3] which has found use as a flavor augmenting or enhancing composition in foodstuffs.

References
  1. NIOSH Pocket Guide to Chemical Hazards. "#0242". National Institute for Occupational Safety and Health (NIOSH).
  2. Davis, Robert; Granito, Charles; Schultz, Harry P. (1967). "4-Heptanone". Organic Syntheses. 47: 75. doi:10.15227/orgsyn.047.0075.
  3. William J. Evers, et al. U.S. Patent 4,097,615 (1978 to International Flavors and Fragrances Inc).


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