Specification
IUPAC Name
4-(3-Oxobutyl)phenyl acetate
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)
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
Monoisotopic Mass
206.094294304
Odor
Sweet raspberry fruity odor
Refractive Index
n20/D 1.506-1.512(lit.)
Topological Polar Surface Area
43.4 Ų