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CS-W001157 4
Total: USD 88.00

rel-(3aR,7aR)-Hexahydroisobenzofuran-1,3-dione

  • CAS No. 14166-21-3

  • Cat. No. CS-0096253
  • Molecule weight154.16
  • Purity≥98%
  • MDL No.MFCD00064345

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

rel-(3aR,7aR)-Hexahydroisobenzofuran-1,3-dione|CS-0096253

Structure of 14166-21-3

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General Information

  • CAS No. 14166-21-3
  • Cat. No. CS-0096253
  • Purity ≥98%
  • MDL No. MFCD00064345
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀O₃
  • Molecular Weight 154.16
  • Synonym(s) trans-Hexahydroisobenzofuran-1,3-dione
  • SMILES O=C1OC([C@]2([H])CCCC[C@]21[H])=O

Synthesis

  • Route1
    • rel-1,2-Cyclohexanedicarboxylic acid|CS-0653459
      2305-32-0
    • ~76%
    • rel-(3aR,7aR)-Hexahydroisobenzofuran-1,3-dione|CS-0096253
      14166-21-3

    References

    • Goodridge, Richard J.; Hambley, Trevor W.; Ridley, Damon D. Australian Journal of Chemistry, 1986 , vol. 39, # 4 p. 591 - 604
  • Route2

    References

    • Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , p. 329,333; engl. Ausg. S. 269, 272
  • Route3
    • null|null
      4841-84-3
    • ~%
    • rel-(3aR,7aR)-Hexahydroisobenzofuran-1,3-dione|CS-0096253
      14166-21-3

    References

    • Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, , p. 329,333; engl. Ausg. S. 269, 272

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS08
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H317-H318-H334
Precautionary Statements : P261-P272-P280-P284-P302+P352-P304+P340-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   0.8762
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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