4-(1,3-Butadien-1-yl)-3,5,5-trimethyl-2-cyclohexen-1-one

CAS Registry Number®

5896-02-6

CAS Name

4-(1,3-Butadien-1-yl)-3,5,5-trimethyl-2-cyclohexen-1-one

Molecular Formula

C13H18O

Molecular Mass

190.28

Cite this Page

4-(1,3-Butadien-1-yl)-3,5,5-trimethyl-2-cyclohexen-1-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5896-02-6 (retrieved 2024-11-24) (CAS RN: 5896-02-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    61-65 °C @ Press: 0.15 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8,12H,1,9H2,2-4H3

InChIKey

InChIKey=YKVWPZJHENXDAJ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • 2-Cyclohexen-1-one, 4-(1,3-butadien-1-yl)-3,5,5-trimethyl-
  • 2-Cyclohexen-1-one, 4-(1,3-butadienyl)-3,5,5-trimethyl-
  • 4-(1,3-Butadien-1-yl)-3,5,5-trimethyl-2-cyclohexen-1-one
  • 4-(1,3-Butadienyl)-3,5,5-trimethyl-2-cyclohexen-1-one
  • Megastigma-4,7,9-trien-3-one