4-(4-Acetoxyphenyl)-2-Butanone

Catalog	ACM3572063
CAS	3572-06-3
Structure
Synonyms	Cue-lure
IUPAC Name	4-(3-Oxobutyl)phenyl acetate
Molecular Weight	206.24
Molecular Formula	C12H14O3
Canonical SMILES	CC(=O)CCC1=CC=C(C=C1)OC(=O)C
InChI	InChI=1S/C12H14O3/c1-9(13)3-4-11-5-7-12(8-6-11)15-10(2)14/h5-8H,3-4H2,1-2H3
InChI Key	UMIKWXDGXDJQJK-UHFFFAOYSA-N
Boiling Point	123-124ºC (0.2 mmHg)
Flash Point	>110ºC
Purity	95%+
Density	1.096-1.100 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in fat
Appearance	Yellow liquid, sweet raspberry fruity odour
Exact Mass	206.094294304
Monoisotopic Mass	206.094294304
Odor	Sweet raspberry fruity odor
Physical State	Liquid
Refractive Index	n20/D 1.506-1.512(lit.)
Topological Polar Surface Area	43.4 Ų