2-Methylvaleric acid butyl ester

CAS	6297-41-2
Structure
Synonyms	Pentanoicacid,2-methyl-,butylester
IUPAC Name	Butyl 2-methylvalerate
Molecular Weight	172.26
Canonical SMILES	CCCCOC(=O)C(C)CCC
InChI	InChI=1S/C10H20O2/c1-4-6-8-12-10(11)9(3)7-5-2/h9H,4-8H2,1-3H3
InChI Key	FMVUGLMJUHFPSJ-UHFFFAOYSA-N
Boiling Point	195.7±8.0 °C
Purity	95%+
Density	0.872±0.06 g/cm³
Exact Mass	172.146329876
Monoisotopic Mass	172.146329876
Refractive Index	n20/D 1.412-1.416(lit.)
Topological Polar Surface Area	26.3 Ų