4-tert-Amylcyclohexanone

CAS Registry Number®

16587-71-6

CAS Name

4-tert-Amylcyclohexanone

Molecular Formula

C11H20O

Molecular Mass

168.28

Cite this Page

4-tert-Amylcyclohexanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=16587-71-6 (retrieved 2024-11-24) (CAS RN: 16587-71-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    110-113 °C @ Press: 12 Torr

  • Melting Point (1)

    96 °C

  • Density (2)

    0.9245 g/cm³ @ Temp: 20 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C11H20O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h9H,4-8H2,1-3H3

InChIKey

InChIKey=DCSKAMGZSIRJAQ-UHFFFAOYSA-N

SMILES

C(CC)(C)(C)C1CCC(=O)CC1

Canonical SMILES

O=C1CCC(CC1)C(C)(C)CC

Other Names for this Substance

  • Cyclohexanone, 4-(1,1-dimethylpropyl)-
  • Cyclohexanone, 4-tert-pentyl-
  • 4-(1,1-Dimethylpropyl)cyclohexanone
  • 4-tert-Amylcyclohexanone
  • 4-tert-Pentylcyclohexanone

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