2-Octanone

Catalog	ACM111137
CAS	111-13-7
Structure
Synonyms	Methvlhexanone
IUPAC Name	2-Methylphenol
Molecular Weight	128.21
Molecular Formula	C8H16O
Canonical SMILES	CCCCCCC(=O)C
InChI	InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
InChI Key	QWVGKYWNOKOFNN-UHFFFAOYSA-N
Boiling Point	173 °C(lit.)
Melting Point	-16 °C
Flash Point	133 °F
Purity	99%
Density	0.819 g/mL at 25 °C(lit.)
Solubility	Soluble in water
Appearance	Liquid
Storage	Sealed in dry, 2-8 °C
Exact Mass	108.057514874
Monoisotopic Mass	108.057514874
Physical State	Liquid
Refractive Index	n20/D 1.416(lit.)
Storage Conditions	Dry place,2-8 °C
Topological Polar Surface Area	20.2 Ų