Benzoic acid n-propyl ester

CAS	2315-68-6
Structure
Synonyms	Benzoic acid, propyl ester
IUPAC Name	Propyl benzoate
Molecular Weight	164.2
Canonical SMILES	CCCOC(=O)C1=CC=CC=C1
InChI	InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key	UDEWPOVQBGFNGE-UHFFFAOYSA-N
Boiling Point	229.5 °C
Melting Point	-51 °C
Flash Point	209 °F
Purity	95%+
Density	1.026 g/mL at 25 °C(lit.)
Solubility	Insoluble in water; soluble in organic solvents, oils
Exact Mass	164.083729621
Monoisotopic Mass	164.083729621
Odor	Warm, herbaceous, balsamic, nut-like odor
Physical State	Oily liquid
Refractive Index	n20/D 1.501(lit.)
Storage Conditions	Below +30 °C
Topological Polar Surface Area	26.3 Ų