4-Hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]-2-cyclohexen-1-one

CAS Registry Number®

15764-81-5

CAS Name

4-Hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]-2-cyclohexen-1-one

Molecular Formula

C13H18O3

Molecular Mass

222.28

Cite this Page

4-Hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]-2-cyclohexen-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=15764-81-5 (retrieved 2024-11-25) (CAS RN: 15764-81-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    108-109 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3/b6-5+

InChIKey

InChIKey=JJRYPZMXNLLZFH-AATRIKPKNA-N

SMILES

C(=C/C(C)=O)\C1(O)C(C)(C)CC(=O)C=C1C

Canonical SMILES

O=C(C=CC1(O)C(=CC(=O)CC1(C)C)C)C

Other Names for this Substance

  • 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]-
  • 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butenyl)-, (E)-(±)-
  • 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butenyl)-, (E)-
  • 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-butenyl]-
  • 4-Hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxo-1-buten-1-yl]-2-cyclohexen-1-one

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Deleted or Replaced CAS Registry Numbers

14398-38-0

CAS INSIGHTSTM
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