Benzyl isovalerate

Catalog	ACM103388
CAS	103-38-8
Structure
Synonyms	Butanoic acid, 3-methyl-, phenylmethyl ester
IUPAC Name	Benzyl 3-methylbutanoate
Molecular Weight	192.25
Molecular Formula	C12H16O2
Canonical SMILES	CC(C)CC(=O)OCC1=CC=CC=C1
InChI	InChI=1S/C12H16O2/c1-10(2)8-12(13)14-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChI Key	HVJKZICIMIWFCP-UHFFFAOYSA-N
Boiling Point	116 °C
Flash Point	>230 °F
Purity	98%+
Density	0.988 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; poorly soluble in glycerol, propylene glycol; soluble in oils
Exact Mass	192.115029749
Monoisotopic Mass	192.115029749
Physical State	Liquid
Refractive Index	n20/D 1.488(lit.)
Topological Polar Surface Area	26.3 Ų