Benzyl isobutyrate

Catalog	ACM103286
CAS	103-28-6
Structure
Synonyms	Phenylmethyl 2-methylpropanoate
IUPAC Name	Benzyl 2-methylpropanoate
Molecular Weight	178.23
Molecular Formula	C11H14O2
Canonical SMILES	CC(C)C(=O)OCC1=CC=CC=C1
InChI	InChI=1S/C11H14O2/c1-9(2)11(12)13-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI Key	UIKJRDSCEYGECG-UHFFFAOYSA-N
Boiling Point	238 °C
Flash Point	138 °F
Purity	98%+
Density	1.003 g/mL at 25 °C(lit.)
Solubility	Insoluble in water and glycerin, soluble in organic solvents, oils
Appearance	Colorless liquid with a fresh, fruity-floral odour
Exact Mass	178.099379685
Monoisotopic Mass	178.099379685
Physical State	Liquid
Refractive Index	n20/D 1.49(lit.)
Topological Polar Surface Area	26.3 Ų