4-Phenylbutanoic acid methyl ester

CAS	2046-17-5
Structure
Synonyms	Benzenebutyric acid methyl ester
IUPAC Name	Methyl 4-phenylbutanoate
Molecular Weight	178.23
Canonical SMILES	COC(=O)CCCC1=CC=CC=C1
InChI	InChI=1S/C11H14O2/c1-13-11(12)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChI Key	YRYZGVBKMWFWGT-UHFFFAOYSA-N
Boiling Point	270.46 °C
Purity	95%+
Density	1.0292 g/mL at 25 °C(lit.)
Solubility	Soluble in oils; slightly soluble in water
Exact Mass	178.099379685
Monoisotopic Mass	178.099379685
Physical State	Liquid
Refractive Index	n20/D 1.509(lit.)
Storage Conditions	2-8 °C
Topological Polar Surface Area	26.3 Ų