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CS-W001157 4
Total: USD 88.00

1-(2,2-Dimethylchroman-6-yl)ethanone

  • CAS No. 32333-31-6

  • Cat. No. CS-0060086
  • Molecule weight204.26
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

1-(2,2-Dimethylchroman-6-yl)ethanone|CS-0060086

Structure of 32333-31-6

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General Information

  • CAS No. 32333-31-6
  • Cat. No. CS-0060086
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆O₂
  • Molecular Weight 204.26
  • Synonym(s) 2,2-Dimethyl-6-acetylchroman
  • SMILES C1(OC2=C(C=C(C(C)=O)C=C2)CC1)(C)C

Synthesis

  • Route1

    References

    • Jetson, Rachael; Malik, Neha; Luniwal, Amarjit; Chari, Venkatesh; Ratnam, Manohar; Erhardt, Paul European Journal of Medicinal Chemistry, 2013 , vol. 63, p. 104 - 108
  • Route2
    • 4-Hydroxyacetophenone Paracetamol Impurity|CS-0229792
      99-93-4
    • null|null
      78-79-5
    • ~59%
    • 1-(2,2-Dimethylchroman-6-yl)ethanone|CS-0060086
      32333-31-6

    References

    • Judd, Katie E.; Caggiano, Lorenzo Organic and Biomolecular Chemistry, 2011 , vol. 9, # 14 p. 5201 - 5210
  • Route3
    • 1-(4-Hydroxy-3-(3-methylbut-2-en-1-yl)phenyl)ethan-1-one|CS-1167808
      26932-05-8
    • ~%
    • 1-(2,2-Dimethylchroman-6-yl)ethanone|CS-0060086
      32333-31-6

    References

    • Lizarraga, Emilio; Gil, Diego M.; Echeverria, Gustavo A.; Piro, Oscar E.; Catalan, Cesar A.N.; Ben Altabef, Aida Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy, 2014 , vol. 127, p. 74 - 84

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.9928
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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