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Home > Encyclopedia > 3,3-DIMETHYL-1-PHENYL-BUTAN-2-ONE

3,3-DIMETHYL-1-PHENYL-BUTAN-2-ONE

3,3-DIMETHYL-1-PHENYL-BUTAN-2-ONE structure

3,3-DIMETHYL-1-PHENYL-BUTAN-2-ONE 

structure
  • CAS No:

    6721-67-1

  • Formula:

    C12H16O

  • Chemical Name:

    3,3-DIMETHYL-1-PHENYL-BUTAN-2-ONE

  • Synonyms:

    3,3-dimethyl-1-phenylbutan-2-one;3,3-dimethyl-1-phenyl-butan-2-one;benzyl-t-butylketone;tert-butyl benzyl ketone;SCHEMBL855690;CTK1J3778;DTXSID50436310;3,3-dimethyl-1-phenyl-2-butanone;1-phenyl-3,3-dimethyl-butan-2-one;ZINC21991030

3,3-DIMETHYL-1-PHENYL-BUTAN-2-ONE Basic Attributes

176.25500

176.12000

DTXSID50436310

2914399090

Characteristics

17.07000

2.84430

Safety Information

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

H302

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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:176.25
XLogP3:2.8
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:176.120115130
Monoisotopic Mass:176.120115130
Topological Polar Surface Area:17.1
Heavy Atom Count:13
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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