Isobutyl heptanoate
CAS Registry Number®
7779-80-8
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CAS Name
Isobutyl heptanoateMolecular Formula
C11H22O2Molecular Mass
186.29Cite this Page
Isobutyl heptanoate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=7779-80-8 (retrieved ) (CAS RN: 7779-80-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Boiling Point (1)
208 °CDensity (2)
0.8593 g/cm³ @ Temp: 20 °C
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Bournot, Konrad; Biochemische Zeitschrift, (1914), 65, 140-57, CAplus
Other Names and Identifiers
InChI
InChI=1S/C11H22O2/c1-4-5-6-7-8-11(12)13-9-10(2)3/h10H,4-9H2,1-3H3
InChIKey
InChIKey=HXJOYVPESRRCDB-UHFFFAOYSA-N
SMILES
C(OCC(C)C)(CCCCCC)=O
Canonical SMILES
O=C(OCC(C)C)CCCCCC
Other Names for this Substance
- Heptanoic acid, 2-methylpropyl ester
- Heptanoic acid, isobutyl ester
- Isobutyl heptanoate
- Isobutyl heptylate
- 2-Methylpropyl heptanoate
