Phenethyl 2-methylbutyrate

CAS	24817-51-4
Structure
Synonyms	Butanoic acid, 2-methyl-, 2-phenylethyl ester
IUPAC Name	2-Phenylethyl 2-methylbutanoate
Molecular Weight	206.28
Canonical SMILES	CCC(C)C(=O)OCCC1=CC=CC=C1
InChI	InChI=1S/C13H18O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
InChI Key	KVKKTLBBYFABAZ-UHFFFAOYSA-N
Boiling Point	305.14 °C
Flash Point	>230 °F
Purity	98%+
Density	0.975 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