2-Methylbutyl 2-methylbutyrate

Catalog	ACM2445785
CAS	2445-78-5
Structure
Synonyms	Butanoic acid, 2-methyl-, 2-methylbutyl ester
IUPAC Name	2-Methylbutyl 2-methylbutanoate
Molecular Weight	172.26
Molecular Formula	C10H20O2
Canonical SMILES	CCC(C)COC(=O)C(C)CC
InChI	InChI=1S/C10H20O2/c1-5-8(3)7-12-10(11)9(4)6-2/h8-9H,5-7H2,1-4H3
InChI Key	PVYFCGRBIREQLL-UHFFFAOYSA-N
Boiling Point	70-72 °C
Flash Point	153 °F
Purity	98%+
Density	0.855 g/mL at 25 °C(lit.)
Exact Mass	172.146329876
Monoisotopic Mass	172.146329876
Physical State	Liquid
Refractive Index	n20/D 1.411-1.417(lit.)
Topological Polar Surface Area	26.3 Ų