Isopropyl Phenylacetate

Catalog	ACM4861852
CAS	4861-85-2
Structure
Synonyms	Benzeneacetic acid 1-methylethyl ester
IUPAC Name	Propan-2-yl 2-phenylacetate
Molecular Weight	178.23
Molecular Formula	C11H14O2
Canonical SMILES	CC(C)OC(=O)CC1=CC=CC=C1
InChI	InChI=1S/C11H14O2/c1-9(2)13-11(12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChI Key	SSMBXPJYHMZLOJ-UHFFFAOYSA-N
Boiling Point	157-165 °C
Melting Point	25-27 °C
Flash Point	225 °F
Purity	95%+
Density	1.001 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in oils
Appearance	Colourless to pale yellow liquid
Exact Mass	178.099379685
Monoisotopic Mass	178.099379685
Physical State	Liquid
Refractive Index	n20/D 1.488(lit.)
Topological Polar Surface Area	26.3 Ų