4,6,6-trimethyloxepan-2-one

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Names

[ CAS No. ]:
2549-57-7

[ Name ]:
4,6,6-trimethyloxepan-2-one

[Synonym ]:
EINECS 219-836-4
4,6,6-trimethyl-oxepan-2-one
2-Oxepanone,4,6,6-trimethyl
(+/-)-4,6,6-trimethyl-1-oxepan-2-one

Chemical & Physical Properties

[ Density]:
0.918g/cm3

[ Boiling Point ]:
230.9ºC at 760mmHg

[ Molecular Formula ]:
C9H16O2

[ Molecular Weight ]:
156.22200

[ Flash Point ]:
87.6ºC

[ Exact Mass ]:
156.11500

[ PSA ]:
26.30000

[ LogP ]:
1.98570

[ Vapour Pressure ]:
0.0642mmHg at 25°C

[ Index of Refraction ]:
1.424

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2,2,4-trimethylhexane-1,6-diol
  • 3,3,5-Trimethylcyclohexanone

DownStream

  • 2,2,4-trimethylhexane-1,6-diol

Related Compounds

  • 4,6,6-trimethyl-hexahydro-azepin-2-one
  • 4,6,6-trimethylbicyclo[3.1.1]heptan-2-one
  • 4,6,6-trimethylhept-3-en-2-one
  • 4,6,6,8,8-pentamethylnon-4-en-2-one
  • 4,6,6,8,8-pentamethylnon-3-en-2-one
  • 5-tert-butyl-4,6,6-trimethylhept-3-en-2-one