1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile

CAS Registry Number®

7027-11-4

CAS Name

1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile

Molecular Formula

C10H15NO

Molecular Mass

165.23

Cite this Page

1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7027-11-4 (retrieved 2024-11-28) (CAS RN: 7027-11-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    105-110 °C @ Press: 0.075 Torr

  • Melting Point (2)

    66-67 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H15NO/c1-9(2)4-8(12)5-10(3,6-9)7-11/h4-6H2,1-3H3

InChIKey

InChIKey=JJDFVIDVSCYKDS-UHFFFAOYSA-N

SMILES

C(#N)C1(C)CC(C)(C)CC(=O)C1

Canonical SMILES

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

Other Names for this Substance

  • Cyclohexanecarbonitrile, 1,3,3-trimethyl-5-oxo-
  • 1,3,3-Trimethyl-5-oxocyclohexanecarbonitrile
  • 3-Oxo-1,5,5-trimethylcyclohexanecarbonitrile
  • 3-Cyano-3,5,5-trimethylcyclohexanone
  • Isophoronenitrile

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Deleted or Replaced CAS Registry Numbers

78948-79-5, 137353-71-0, 144975-27-9

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