3-Phenylpropyl isobutyrate

CAS	103-58-2
Structure
Synonyms	Hydrocinnamyl isobutyrate
IUPAC Name	3-Phenylpropyl 2-methylpropanoate
Molecular Weight	206.28
Canonical SMILES	CC(C)C(=O)OCCCC1=CC=CC=C1
InChI	InChI=1S/C13H18O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3
InChI Key	VBTAKMZSMFMLGT-UHFFFAOYSA-N
Boiling Point	282 °C
Melting Point	-60 °C
Flash Point	>230 °F
Purity	98%+
Density	0.979 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in oils
Exact Mass	206.130679813
Monoisotopic Mass	206.130679813
Physical State	Liquid
Refractive Index	n20/D 1.486(lit.)
Topological Polar Surface Area	26.3 Ų