Phenethyl butyrate

Catalog	ACM103526
CAS	103-52-6
Structure
Synonyms	Butanoic acid, 2-phenylethyl ester
IUPAC Name	2-Phenylethyl butanoate
Molecular Weight	192.25
Molecular Formula	C12H16O2
Canonical SMILES	CCCC(=O)OCCC1=CC=CC=C1
InChI	InChI=1S/C12H16O2/c1-2-6-12(13)14-10-9-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3
InChI Key	WFNDDSQUKATKNX-UHFFFAOYSA-N
Boiling Point	260 °C
Flash Point	>230 °F
Purity	98%+
Density	0.994 g/mL at 25 °C(lit.)
Solubility	water, 44.15 mg/L @ 25 °C (est)
Appearance	Colorless liquid; warm, floral and fruity odour
Exact Mass	192.115029749
Monoisotopic Mass	192.115029749
Physical State	Liquid
Refractive Index	n20/D 1.49(lit.)
Topological Polar Surface Area	26.3 Ų