Isopropyl hexanoate

CAS	2311-46-8
Structure
Synonyms	Hexanoic acid, 1-methylethyl ester
IUPAC Name	propan-2-yl hexanoate
Molecular Weight	158.24
Canonical SMILES	CCCCCC(=O)OC(C)C
InChI	InChI=1S/C9H18O2/c1-4-5-6-7-9(10)11-8(2)3/h8H,4-7H2,1-3H3
InChI Key	JSHDAORXSNJOBA-UHFFFAOYSA-N
Boiling Point	16 8 °C
Flash Point	54 °C
Purity	98%+
Density	0.86 g/mL at 25 °C(lit.)
Solubility	Almost insoluble in water; soluble in alcohol
Exact Mass	158.130679813
Monoisotopic Mass	158.130679813
Physical State	Liquid
Refractive Index	n20/D 1.406-1.408(lit.)
Topological Polar Surface Area	26.3 Ų