Isobutavan

CAS Registry Number®

20665-85-4
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CAS Name

Isobutavan

Molecular Formula

C12H14O4

Molecular Mass

222.24

Cite this Page

Isobutavan.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=20665-85-4 (retrieved 2024-04-18) (CAS RN: 20665-85-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    29-30 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H14O4/c1-8(2)12(14)16-10-5-4-9(7-13)6-11(10)15-3/h4-8H,1-3H3

InChIKey

InChIKey=BGKAKRUFBSTALK-UHFFFAOYSA-N

SMILES

O(C(C(C)C)=O)C1=C(OC)C=C(C=O)C=C1

Canonical SMILES

O=CC1=CC=C(OC(=O)C(C)C)C(OC)=C1

Other Names for this Substance

  • Propanoic acid, 2-methyl-, 4-formyl-2-methoxyphenyl ester
  • Isobutyric acid, ester with vanillin
  • Vanillin, isobutyrate
  • Isobutavan
  • 4-Isobutyroyloxy-3-methoxybenzaldehyde

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