3-Octanone

3-Octanone is an organic compound with the formula C₅H₁₁C(O)C₂H₅. A colorless fragrant liquid, it is classified as a ketone. It is one of three octanones, the others being 2-octanone and 4-octanone.

3-Octanone

Names
Preferred IUPAC name Octan-3-one
Other names Ethyl amyl ketone; n-Octanone-3; Amyl ethyl ketone; Ethyl pentyl ketone; Ethyl n-amyl ketone; Ethyl n-pentyl ketone
Identifiers
CAS Number	106-68-3 Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:80946 Y
ChemSpider	215929
ECHA InfoCard	100.003.113
PubChem CID	246728
UNII	79173B4107 Y
CompTox Dashboard (EPA)	DTXSID3041954
InChI InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3 Key: RHLVCLIPMVJYKS-UHFFFAOYSA-N InChI=1/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3 Key: RHLVCLIPMVJYKS-UHFFFAOYAV
SMILES CCCCCC(=O)CC
Properties
Chemical formula	C8H16O
Molar mass	128.215 g·mol−1
Appearance	colorless liquid
Density	0.822 g/mL[1]
Boiling point	167 to 168 °C (333 to 334 °F; 440 to 441 K)[1]
Solubility in water	insoluble in water[2]
Vapor pressure	2 mmHg (20°C)[2]
Hazards
Flash point	59 °C; 138 °F; 332 K
NIOSH (US health exposure limits):
PEL (Permissible)	TWA 25 ppm (130 mg/m3)[2]
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

Occurrence

3-Octanone is found in a variety of sources such as plants (such as lavender),^[3] herbs (such as rosemary,^[4] basil, and thyme^[5]), and nectarines.^[6] It was also found to be present in Japanese catnip (Schizonepeta tenuifolia)^[7] and the pine king bolete (Boletus pinophilus).^[8] It is produced by oyster mushrooms as an insecticide to kill roundworms.^[9][10][11]

Uses

3-Octanone is used as a flavor and fragrance ingredient.^[12][13][14]

See also

• Filbertone