Isobutyl heptanoate

7779-80-8

CAS Name

Isobutyl heptanoate

Molecular Formula

C₁₁H₂₂O₂

Molecular Mass

186.29

Compound Properties

• Boiling Point (1)

  208 °C

• Density (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