2-Octanone

2-Octanone is an organic compound with the formula CH₃C(O)C₆H₁₃. It is a colorless volatile liquid that is produced commercially for use in the fragrance industry. It is produced by the condensation of acetone and pentanal followed by hydrogenation of the alkene. It can also be produced by selective oxidation of 1-octene.^[2] It is one of three octanones, the others being 3-octanone and 4-octanone. It is a common if trace component of many cooked foods.^[3]

2-Octanone

Identifiers
CAS Number	111-13-7
3D model (JSmol)	Interactive image
ChEBI	CHEBI:87434
ChEMBL	ChEMBL18549
ChemSpider	7802
ECHA InfoCard	100.003.489
EC Number	203-837-1
PubChem CID	8093
UNII	J2G84H29AF
CompTox Dashboard (EPA)	DTXSID4021927
InChI InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3 Key: ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
SMILES CCCCCCC(=O)C
Properties
Chemical formula	C8H16O
Molar mass	128.215 g·mol−1
Appearance	colorless liquid
Density	0.820 g/cm3 (20 °C)
Melting point	−16 °C (3 °F; 257 K)
Boiling point	172–173 °C (342–343 °F; 445–446 K)
Hazards
GHS labelling:[1]
Pictograms
Signal word	Warning
Hazard statements	H226
Precautionary statements	P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). Infobox references

See also

• Filbertone