Phenethyl octanoate

CAS	5457-70-5
Synonyms	Octanoic acid phenyl ethyl ester
IUPAC Name	2-Phenylethyl octanoate
Molecular Weight	248.36
Canonical SMILES	CCCCCCCC(=O)OCCC1=CC=CC=C1
InChI	InChI=1S/C16H24O2/c1-2-3-4-5-9-12-16(17)18-14-13-15-10-7-6-8-11-15/h6-8,10-11H,2-5,9,12-14H2,1H3
InChI Key	ASETYIALRXDVDF-UHFFFAOYSA-N
Boiling Point	295-296 °C
Flash Point	>230 °F
Purity	95%+
Density	0.947 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in oils
Exact Mass	248.177630004
Monoisotopic Mass	248.177630004
Odor	Mild fruity wine-like odor
Physical State	Oily liquid
Refractive Index	n20/D 1.483(lit.)
Topological Polar Surface Area	26.3 Ų