Product Name
Isobutyl butyrate
Category
Heterocyclic Organic Compound
Description
Isobutyl butyrate is a metabolite of Rifampicin, a Rifamycin antibiotic.
Synonyms
Butanoic acid, isobutyl ester
IUPAC Name
2-Methylpropyl butanoate
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
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
Monoisotopic Mass
144.115029749
Refractive Index
n20/D 1.403(lit.)
Topological Polar Surface Area
26.3 Ų
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