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CS-W001157 4
Total: USD 88.00

5-Ethylbenzene-1,3-diol

  • CAS No. 4299-72-3

  • Cat. No. CS-0360779
  • Purity≥98%
  • MDL No.None

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

5-Ethylbenzene-1,3-diol|CS-0360779

Structure of 4299-72-3

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General Information

  • CAS No. 4299-72-3
  • Cat. No. CS-0360779
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀O₂
  • Molecular Weight 138.16
  • Synonym(s) 1,3-Benzenediol, 5-ethyl-
  • SMILES OC1=CC(CC)=CC(O)=C1

Synthesis

  • Route1

    References

    • Linusson; Gottfries; Olsson; Oernskov; Folestad; Norden; Wold Journal of Medicinal Chemistry, 2001 , vol. 44, # 21 p. 3424 - 3439
  • Route2
    • 1-Ethyl-3,5-Dimethoxybenzene|CS-0769451
      51768-56-0
    • ~%
    • 5-Ethylbenzene-1,3-diol|CS-0360779
      4299-72-3

    References

    • Brown et al. Journal of the Chemical Society, 1949 , p. 859,866
  • Route3

    References

    • Ayer, William A.; Browne, Lois M.; Lovell, Sarah H. Phytochemistry (Elsevier), 1983 , vol. 22, # 10 p. 2267 - 2272

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   40.46
  • LogP   1.6602
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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