Isobutyl isovalerate
CAS Registry Number®
589-59-3
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CAS Name
Isobutyl isovalerateMolecular Formula
C9H18O2Molecular Mass
158.24Cite this Page
Isobutyl isovalerate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=589-59-3 (retrieved ) (CAS RN: 589-59-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
168.5 °CMelting Point (2)
110 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Mosher, Wm. A.; Journal of the American Chemical Society, (1953), 75, 5605-7, CAplus
Other Names and Identifiers
InChI
InChI=1S/C9H18O2/c1-7(2)5-9(10)11-6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKey
InChIKey=KEBDNKNVCHQIJU-UHFFFAOYSA-N
SMILES
C(OCC(C)C)(CC(C)C)=O
Canonical SMILES
O=C(OCC(C)C)CC(C)C
Other Names for this Substance
- Butanoic acid, 3-methyl-, 2-methylpropyl ester
- Isovaleric acid, isobutyl ester
- Isobutyl isovalerate
- 2-Methylpropyl 3-methylbutyrate
- 2-Methylpropyl isovalerate
