3-Octanone

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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
3D model (JSmol)
ChEBI
ChemSpider
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UNII
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  • 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
  • CCCCCC(=O)CC
Properties
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]
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).

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.

Occurrence

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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]

Uses

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3-Octanone is used as a flavor and fragrance ingredient.[11][12][13]

See also

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References

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  13. ^ Code of Federal Regulations Title 21
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