Isobutyl hexanoate

Catalog	ACM105793
CAS	105-79-3
Structure
Synonyms	Isobutyl caproate
IUPAC Name	2-Methylpropyl hexanoate
Molecular Weight	172.26
Molecular Formula	C10H20O2
Canonical SMILES	CCCCCC(=O)OCC(C)C
InChI	InChI=1S/C10H20O2/c1-4-5-6-7-10(11)12-8-9(2)3/h9H,4-8H2,1-3H3
InChI Key	UXUPPWPIGVTVQI-UHFFFAOYSA-N
Boiling Point	348-350 °C
Melting Point	-64.3 °C
Flash Point	169 °F
Purity	98%+
Density	0.856 g/mL at 25 °C(lit.)
Exact Mass	172.146329876
Monoisotopic Mass	172.146329876
Physical State	Liquid
Refractive Index	n20/D 1.414(lit.)
Storage Conditions	2-8 °C
Topological Polar Surface Area	26.3 Ų