4-Benzylidene-2,6-di-tert-butylcyclohexa-2,5-dienone

CAS Registry Number®

7078-98-0

CAS Name

4-Benzylidene-2,6-di-tert-butylcyclohexa-2,5-dienone

Molecular Formula

C21H26O

Molecular Mass

294.43

Cite this Page

4-Benzylidene-2,6-di-tert-butylcyclohexa-2,5-dienone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7078-98-0 (retrieved 2024-11-25) (CAS RN: 7078-98-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    186 °C @ Press: 1 Torr

  • Melting Point (1)

    74-75 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H26O/c1-20(2,3)17-13-16(12-15-10-8-7-9-11-15)14-18(19(17)22)21(4,5)6/h7-14H,1-6H3

InChIKey

InChIKey=HCUWXYBKPSKTAB-UHFFFAOYSA-N

SMILES

C(=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1)C2=CC=CC=C2

Canonical SMILES

O=C1C(=CC(=CC=2C=CC=CC2)C=C1C(C)(C)C)C(C)(C)C

Other Names for this Substance

  • 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(phenylmethylene)-
  • 2,5-Cyclohexadien-1-one, 4-benzylidene-2,6-di-tert-butyl-
  • 2,6-Bis(1,1-dimethylethyl)-4-(phenylmethylene)-2,5-cyclohexadien-1-one
  • 4-Benzylidene-2,6-di-tert-butyl-2,5-cyclohexadien-1-one
  • 4-Benzylidene-2,6-di-tert-butylcyclohexa-2,5-dienone

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