Isobutyl butyrate

Catalog	ACM539902
CAS	539-90-2
Structure
Description	Isobutyl butyrate is a metabolite of Rifampicin, a Rifamycin antibiotic.
Synonyms	Butanoic acid, isobutyl ester
IUPAC Name	2-Methylpropyl butanoate
Molecular Weight	144.21
Molecular Formula	C8H16O2
Canonical SMILES	CCCC(=O)OCC(C)C
InChI	InChI=1S/C8H16O2/c1-4-5-8(9)10-6-7(2)3/h7H,4-6H2,1-3H3
InChI Key	RGFNRWTWDWVHDD-UHFFFAOYSA-N
Boiling Point	157-158 °C
Melting Point	-88.07 °C
Flash Point	114 °F
Purity	99%
Density	0.861 g/mL at 25 °C(lit.)
Solubility	Soluble in most fixed oils; slightly soluble in water; insoluble in glycerol
Appearance	Colorless to pale yellow liquid with banana-pineapple-pear sweet odor
Exact Mass	144.115029749
Monoisotopic Mass	144.115029749
Physical State	Liquid
Refractive Index	n20/D 1.403(lit.)
Topological Polar Surface Area	26.3 Ų