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CS-W001157 4
Total: USD 88.00

3-Ethylphenol

  • CAS No. 620-17-7

  • Cat. No. CS-W019545
  • Purity≥96%
  • MDL No.MFCD00002311

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

3-Ethylphenol|CS-W019545

Structure of 620-17-7

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General Information

  • CAS No. 620-17-7
  • Cat. No. CS-W019545
  • Purity ≥96%
  • MDL No. MFCD00002311
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀O
  • Molecular Weight 122.16
  • Synonym(s) m-Hydroxyethylbenzene
  • SMILES OC1=CC=CC(CC)=C1

Description

The following building block was synthesized via a C-H activation method developed by Yu and coworkers. The method was incorporated using the Yu-Wasa Auxiliary (Aldrich 791806) and I2 as the sole oxidant for ortho-iodination from the corresponding benzoic acid derivative.

Synthesis

  • Route1
    • 3-Ethyl-2-cyclohexen-1-one|CS-0098536
      17299-34-2
    • ~92%
    • In-stock
      3-Ethylphenol|CS-W019545
      620-17-7

    References

    • Manna, Kuntal; Zhang, Teng; Lin, Wenbin Journal of the American Chemical Society, 2014 , vol. 136, # 18 p. 6566 - 6569
  • Route2

    References

    • Shen, Ruwei; Chen, Tieqiao; Zhao, Yalei; Qiu, Renhua; Zhou, Yongbo; Yin, Shuangfeng; Wang, Xiangbo; Goto, Midori; Han, Li-Biao Journal of the American Chemical Society, 2011 , vol. 133, # 42 p. 17037 - 17044
  • Route3
    • 1-Chloro-2-ethylbenzene|CS-0296709
      89-96-3
    • ~%
    • In-stock
      3-Ethylphenol|CS-W019545
      620-17-7

    References

    • Journal of the American Chemical Society, , vol. 54, p. 2920

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 3145
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302+H312+H332-H314-H402
Precautionary Statements : P260-P261-P264-P270-P271-P273-P280-P301+P330+P331-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P330-P362+P364-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   1.9546
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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