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CS-W001157 4
Total: USD 88.00

4-Phenyloxane-2,6-dione

  • CAS No. 4160-80-9

  • Cat. No. CS-0241752
  • Molecule weight190.20
  • Purity≥98%
  • MDL No.None

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

4-Phenyloxane-2,6-dione|CS-0241752

Structure of 4160-80-9

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General Information

  • CAS No. 4160-80-9
  • Cat. No. CS-0241752
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₃
  • Molecular Weight 190.20
  • Synonym(s) Dihydro-4-phenyl-2H-pyran-2,6(3H)-dione
  • SMILES C1=CC=C(C=C1)C2CC(=O)OC(=O)C2

Synthesis

  • Route1
    • 3-Phenylglutaric acid|CS-W015226
      4165-96-2
    • ~98%
    • 4-Phenyloxane-2,6-dione|CS-0241752
      4160-80-9

    References

    • Tokoroyama, Takashi; Kusaka, Hisashi Canadian Journal of Chemistry, 1996 , vol. 74, # 12 p. 2487 - 2502
  • Route2
    • null|null
      463-51-4
    • null|null
      100-52-7
    • ~31%
    • 4-Phenyloxane-2,6-dione|CS-0241752
      4160-80-9

    References

    • Matsunaga, Hirokazu; Ikeda, Kiyoshi; Iwamoto, Ken-ichi; Suzuki, Yumiko; Sato, Masayuki Tetrahedron Letters, 2009 , vol. 50, # 20 p. 2334 - 2336
  • Route3
    • null|null
      4161-10-8
    • ~%
    • 4-Phenyloxane-2,6-dione|CS-0241752
      4160-80-9

    References

    • Bruice,T.C.; Pandit,U.K. Journal of the American Chemical Society, 1960 , vol. 82, p. 5858 - 5865

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.6338
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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