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Home > Encyclopedia > 2,2-Dimethylcyclohexane-1,3-dione

2,2-Dimethylcyclohexane-1,3-dione

2,2-Dimethylcyclohexane-1,3-dione structure

2,2-Dimethylcyclohexane-1,3-dione 

structure
  • CAS No:

    562-13-0

  • Formula:

    C8H12O2

  • Chemical Name:

    2,2-Dimethylcyclohexane-1,3-dione

  • Synonyms:

    2,2-dimethylcyclohexane-1,3-dione;2,2-Dimethyl-1,3-cyclohexanedione;1,3-Cyclohexanedione, 2,2-dimethyl-;SCHEMBL1549719;CTK1F5074;DTXSID00338759;ZINC32218357;AKOS015842125;SB17587;AS-51038

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

2,2-Dimethylcyclohexane-1,3-dione Basic Attributes

140.182

140.08400

DTXSID00338759

2914299000

Characteristics

34.1

1.33470

1.016g/cm3

94-96℃

233.7ºC at 760 mmHg

85.1ºC

1.452

Safety Information

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:140.18
XLogP3:0.9
Hydrogen Bond Acceptor Count:2
Exact Mass:140.083729621
Monoisotopic Mass:140.083729621
Topological Polar Surface Area:34.1
Heavy Atom Count:10
Complexity:162
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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