Benzoic acid, butyl ester

CAS	136-60-7
Synonyms	1-Butoxy-3-(tert-butyl)benzene
IUPAC Name	Butyl benzoate
Molecular Weight	178.23
Canonical SMILES	CCCCOC(=O)C1=CC=CC=C1
InChI	InChI=1S/C11H14O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
InChI Key	XSIFPSYPOVKYCO-UHFFFAOYSA-N
Boiling Point	249 °C
Melting Point	-22 °C
Flash Point	223 °F
Purity	95%+
Density	1.01 g/mL at 25 °C(lit.)
Solubility	Practically insoluble in water
Exact Mass	178.099379685
Monoisotopic Mass	178.099379685
Physical State	Liquid
Refractive Index	n20/D 1.498(lit.)
Storage Conditions	Room Temperature
Topological Polar Surface Area	26.3 Ų