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CS-W001157 4
Total: USD 88.00

3-(2-Methylpropylidene)isobenzofuran-1(3H)-one

  • CAS No. 88542-70-5

  • Cat. No. CS-0571422
  • Molecule weight188.22
  • Purity≥98%
  • MDL No.None

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

3-(2-Methylpropylidene)isobenzofuran-1(3H)-one|CS-0571422

Structure of 88542-70-5

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General Information

  • CAS No. 88542-70-5
  • Cat. No. CS-0571422
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂O₂
  • Molecular Weight 188.22
  • Synonym(s) n-Butylphthalide-031
  • SMILES O=C1OC(C2=C1C=CC=C2)=CC(C)C

Synthesis

  • Route1
    • null|null
      85-44-9
    • 3-Methylbutanoic anhydride|CS-0086016
      1468-39-9
    • ~%
    • 3-(2-Methylpropylidene)isobenzofuran-1(3H)-one|CS-0571422
      88542-70-5

    References

    • Bromberg Chemische Berichte, 1896 , vol. 29, p. 1436
  • Route2
    • null|null
      85-44-9
    • null|null
      3431-68-3
    • ~%
    • 3-(2-Methylpropylidene)isobenzofuran-1(3H)-one|CS-0571422
      88542-70-5

    References

    • Kariyone; Shimizu Yakugaku Zasshi, 1953 , vol. 73, p. 336 Chem.Abstr., 1954 , p. 2661

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.8539
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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