4-(2,2,6-Trimethylcyclohexyl)-3-buten-2-one

CAS Registry Number®

36208-32-9
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CAS Name

4-(2,2,6-Trimethylcyclohexyl)-3-buten-2-one

Molecular Formula

C13H22O

Molecular Mass

194.31

Cite this Page

4-(2,2,6-Trimethylcyclohexyl)-3-buten-2-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=36208-32-9 (retrieved 2024-09-13) (CAS RN: 36208-32-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    124-125 °C @ Press: 14 Torr

  • Melting Point (2)

    50 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,10,12H,5-6,9H2,1-4H3

InChIKey

InChIKey=YJRODKCOICMRBO-UHFFFAOYSA-N

SMILES

C(=CC(C)=O)C1C(C)(C)CCCC1C

Canonical SMILES

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

Other Names for this Substance

  • 3-Buten-2-one, 4-(2,2,6-trimethylcyclohexyl)-
  • 4-(2,2,6-Trimethylcyclohexyl)-3-buten-2-one
  • 4-(2,2,6-Trimethylcyclohexan-1-yl)-3-buten-2-one