Amyl benzoate

Catalog	ACM2049969-1
CAS	2049-96-9
Structure
Synonyms	Benzoic acid, pentyl ester
IUPAC Name	Pentyl benzoate
Molecular Weight	192.25
Molecular Formula	C12H16O2
Canonical SMILES	CCCCCOC(=O)C1=CC=CC=C1
InChI	InChI=1S/C12H16O2/c1-2-3-7-10-14-12(13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3
InChI Key	QKNZNUNCDJZTCH-UHFFFAOYSA-N
Boiling Point	260 °C
Flash Point	260 °C
Purity	95%+
Density	0.987 g/mL at 25 °C(lit.)
Exact Mass	192.115029749
Monoisotopic Mass	192.115029749
Physical State	Liquid
Refractive Index	n20/D 1.494-1.496(lit.)
Storage Conditions	2-8 °C
Topological Polar Surface Area	26.3 Ų