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Home > Encyclopedia > 3,5-DIMETHYLCYCLOHEXANONE

3,5-DIMETHYLCYCLOHEXANONE

3,5-DIMETHYLCYCLOHEXANONE structure

3,5-DIMETHYLCYCLOHEXANONE 

structure
  • CAS No:

    2320-30-1

  • Formula:

    C8H14O

  • Chemical Name:

    3,5-DIMETHYLCYCLOHEXANONE

  • Synonyms:

    Nsc21132;3,5-DIMETHYLCYCLOHEXANONE;3,5-diMethylcyclohe×anone;productNaMe(3R,5S)-3,5-diMethylcyclohexanone;3,5-DIMETHYLCYCLOHEXANONE(MIXTUREOFISOMERS);3,5-DIMETHYLCYCLOHEXANONE(MIXTUREOFISOMERS)98+%

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

3,5-DIMETHYLCYCLOHEXANONE Basic Attributes

126.2

126.10400

21132

Characteristics

17.1

2.01160

0.882g/cm3

9.25°C (estimate)

179.85°C

53.8ºC

1.433

Safety Information

3

1224

10

16

P264, P280, P305+P351+P338, P33, P313

H319

|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:126.20
XLogP3:1.8
Hydrogen Bond Acceptor Count:1
Exact Mass:126.104465066
Monoisotopic Mass:126.104465066
Topological Polar Surface Area:17.1
Heavy Atom Count:9
Complexity:106
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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