4-Methyl-1-phenyl-2-pentanone

CAS	5349-62-2
Structure
Synonyms	Benzyl isobutyl ketone
IUPAC Name	4-Methyl-1-phenylpentan-2-one
Molecular Weight	176.25
Canonical SMILES	CC(C)CC(=O)CC1=CC=CC=C1
InChI	InChI=1S/C12H16O/c1-10(2)8-12(13)9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChI Key	DTYGTEGDVPAKDA-UHFFFAOYSA-N
Boiling Point	250-251 °C
Flash Point	221 °F
Purity	95%+
Density	0.949 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in organic solvents, oils
Exact Mass	176.12011513
Monoisotopic Mass	176.12011513
Physical State	Oily liquid
Refractive Index	n20/D 1.498(lit.)
Storage Conditions	Inert atmosphere,2-8 °C
Topological Polar Surface Area	17.1 Ų