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CS-W001157 4
Total: USD 88.00

1,4-Benzenediethanol

  • CAS No. 5140-03-4

  • Cat. No. CS-0207145
  • Molecule weight166.22
  • Purity≥98%
  • MDL No.MFCD00666548

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

1,4-Benzenediethanol|CS-0207145

Structure of 5140-03-4

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General Information

  • CAS No. 5140-03-4
  • Cat. No. CS-0207145
  • Purity ≥98%
  • MDL No. MFCD00666548
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄O₂
  • Molecular Weight 166.22
  • Synonym(s) None
  • SMILES OCCC1=CC=C(C=C1)CCO

Synthesis

  • Route1

    References

    • Harvey, Ronald G.; Pataki, John; Cortez, Cecilia; Raddo, Pasquale Di; Yang, ChengXi Journal of Organic Chemistry, 1991 , vol. 56, # 3 p. 1210 - 1217
  • Route2
    • Dimethyl 2,2'-(1,4-phenylene)diacetate|CS-1635063
      36076-25-2
    • ~88%
    • 1,4-Benzenediethanol|CS-0207145
      5140-03-4

    References

    • Desai, Dhimant; Madhunapantula, SubbaRao V.; Gowdahalli, Krishnegowda; Sharma, Arati; Chandagaludoreswamy, Raghavendragowda; El-Bayoumy, Karam; Robertson, Gavin P.; Amin, Shantu Bioorganic and Medicinal Chemistry Letters, 2010 , vol. 20, # 6 p. 2038 - 2043
  • Route3

    References

    • Zhang, Xiaoxia; Sarkar, Sampa; Larock, Richard C. Journal of Organic Chemistry, 2006 , vol. 71, # 1 p. 236 - 243

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   40.46
  • LogP   0.7562
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   4

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