Isobutyl isovalerate

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Catalog Number ACM589593
Product Name Isobutyl isovalerate
CAS Number 589-59-3
Structure Isobutyl isovalerate
Description 2-Methylpropyl-3-methylbutyrate has an aroma reminiscent of apple and raspberry.
IUPAC Name 2-Methylpropyl 3-methylbutanoate
Synonyms 2-Methylpropyl isovalerate
Molecular Weight 158.24
Molecular Formula C9H18O2
Canonical SMILES CC(C)CC(=O)OCC(C)C
Inchi InChI=1S/C9H18O2/c1-7(2)5-9(10)11-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKey KEBDNKNVCHQIJU-UHFFFAOYSA-N
Boiling Point 168 °C
Melting Point -92.8 °C
Flash Point 57 °C
Purity 98%+
Density 0.853 g/mL at 20 °C(lit.)
Solubility Miscible with alcohol
Appearance Colorless to pale yellow clear liquid (est)
Physical State Liquid
Refractive Index n20/D 1.406(lit.)

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