Benzenepropanoic acid, ethyl ester

CAS	2021-28-5
Structure
Synonyms	3- Phenylethyl propionate
IUPAC Name	Ethyl 3-phenylpropanoate
Molecular Weight	178.23
Canonical SMILES	CCOC(=O)CCC1=CC=CC=C1
InChI	InChI=1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key	JAGZUIGGHGTFHO-UHFFFAOYSA-N
Boiling Point	247-248 °C
Melting Point	122-124 °C
Flash Point	226 °F
Purity	95%+
Density	1.01 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in oils
Exact Mass	178.099379685
Monoisotopic Mass	178.099379685
Odor	Sweet, fruity, honey-like odor
Physical State	Liquid
Refractive Index	n20/D 1.494(lit.)
Storage Conditions	2-8 °C
Topological Polar Surface Area	26.3 Ų