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CS-W001157 4
Total: USD 88.00

5,6-Dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione

  • CAS No. 5438-24-4

  • Cat. No. CS-0319854
  • Purity95+%
  • MDL No.None

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

5,6-Dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione|CS-0319854

Structure of 5438-24-4

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General Information

  • CAS No. 5438-24-4
  • Cat. No. CS-0319854
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₃
  • Molecular Weight 180.20
  • Synonym(s) 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
  • SMILES CC1=C(C)CC2C(C1)C(=O)OC2=O

Synthesis

  • Route1
    • null|null
      108-31-6
    • null|null
      513-81-5
    • ~95%
    • 5,6-Dimethyl-3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione|CS-0319854
      5438-24-4

    References

    • Snyder, Daniel A.; Noti, Christian; Seeberger, Peter H.; Schael, Frank; Bieber, Thomas; Rimmel, Guido; Ehrfeld, Wolfgang Helvetica Chimica Acta, 2005 , vol. 88, # 1 p. 1 - 9

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 2923
Class : 8 (6.1)
Packing Group : Ⅲ
Hazard Statements : H301-H311-H314-H331
Precautionary Statements : P260-P264-P270-P271-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.4324
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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