4-Heptanone

4-Heptanone
Names
	Preferred IUPAC name Heptan-4-one
	Other names Dipropyl ketone, Butyrone, DPK, Propyl ketone
Identifiers
CAS Number	123-19-3 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:89484;
ChemSpider	28986 ;
ECHA InfoCard	100.004.191
EC Number	204-608-9;
PubChem CID	31246;
RTECS number	MJ5600000;
UNII	9BN582JQ61 ;
UN number	2710
CompTox Dashboard (EPA)	DTXSID6047650 ;
	InChI InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3 Key: HCFAJYNVAYBARA-UHFFFAOYSA-N ;
	SMILES O=C(CCC)CCC;
Properties
Chemical formula	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)
Magnetic susceptibility (χ)	-80.45·10−6 cm3/mol
Hazards
	Occupational safety and health (OHS/OSH):
Main hazards	Combustible
	GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H226, H332
Precautionary statements	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)	1 2 0
Flash point	48.9 °C (120.0 °F; 322.0 K)
	NIOSH (US health exposure limits):
PEL (Permissible)	none
REL (Recommended)	TWA 50 ppm (235 mg/m3)
IDLH (Immediate danger)	N.D.
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

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

Synthesis[edit]

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[edit]

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

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[PGCH-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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