Isobutylionone

CAS Registry Number®

99948-88-6
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CAS Name

Isobutylionone

Molecular Formula

C16H26O

Molecular Mass

234.38

Cite this Page

Isobutylionone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=99948-88-6 (retrieved 2024-04-25) (CAS RN: 99948-88-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C16H26O/c1-12(2)11-14(17)8-9-15-13(3)7-6-10-16(15,4)5/h7-9,12,15H,6,10-11H2,1-5H3/b9-8+

InChIKey

InChIKey=QLDFUXZWCMSFEO-CMDGGOBGNA-N

SMILES

C(=C/C(CC(C)C)=O)\C1C(C)(C)CCC=C1C

Canonical SMILES

O=C(C=CC1C(=CCCC1(C)C)C)CC(C)C

Other Names for this Substance

  • 1-Hexen-3-one, 5-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (E)-
  • Isobutylionone
  • (E)-5-Methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one

CAS INSIGHTSTM
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