Pentyl phenylacetate

CAS	5137-52-0
Structure
Synonyms	Amyl phenylacetate
IUPAC Name	Pentyl 2-phenylacetate
Molecular Weight	206.28
Canonical SMILES	CCCCCOC(=O)CC1=CC=CC=C1
InChI	InChI=1S/C13H18O2/c1-2-3-7-10-15-13(14)11-12-8-5-4-6-9-12/h4-6,8-9H,2-3,7,10-11H2,1H3
InChI Key	LRVLBFSVAFUOGO-UHFFFAOYSA-N
Boiling Point	269 °C
Melting Point	31-32 °C
Flash Point	224 °F
Purity	95%+
Density	0.990±0.06 g/cm³
Exact Mass	206.130679813
Monoisotopic Mass	206.130679813
Refractive Index	n20/D 1.485-1.489(lit.)
Topological Polar Surface Area	26.3 Ų