Hexyl isobutyrate

Catalog	ACM2349077
CAS	2349-07-7
Structure
Synonyms	Propanoic acid, 2-methyl-, hexyl ester
IUPAC Name	Hexyl-2-methylpropionate
Molecular Weight	172.26
Molecular Formula	C10H20O2
Canonical SMILES	CCCCCCOC(=O)C(C)C
InChI	InChI=1S/C10H20O2/c1-4-5-6-7-8-12-10(11)9(2)3/h9H,4-8H2,1-3H3
InChI Key	CYHBDKTZDLSRMY-UHFFFAOYSA-N
Boiling Point	202.6 °C
Melting Point	-78 °C
Flash Point	164 °F
Purity	98%+
Density	0.86 g/mL at 25 °C(lit.)
Exact Mass	172.146329876
Monoisotopic Mass	172.146329876
Physical State	Liquid
Refractive Index	n20/D 1.413(lit.)
Storage Conditions	Dry place,Room Temperature
Topological Polar Surface Area	26.3 Ų