Isobutyl angelate

CAS Registry Number®

7779-81-9
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CAS Name

Isobutyl angelate

Molecular Formula

C9H16O2

Molecular Mass

156.22

Cite this Page

Isobutyl angelate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=7779-81-9 (retrieved 2024-04-23) (CAS RN: 7779-81-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    176-177 °C

  • Density (1)

    0.8974 g/cm³ @ Temp: 14 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3/b8-5-

InChIKey

InChIKey=XDEGQMQKHFPBEW-YVMONPNESA-N

SMILES

C(OCC(C)C)(/C(=C\C)/C)=O

Canonical SMILES

O=C(OCC(C)C)C(=CC)C

Other Names for this Substance

  • 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (2Z)-
  • Crotonic acid, 2-methyl-, isobutyl ester, (Z)-
  • 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (Z)-
  • Angelic acid, isobutyl ester
  • Isobutyl angelate

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