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CS-W001157 4
Total: USD 88.00

Propyl 4-methylbenzenesulfonate

  • CAS No. 599-91-7

  • Cat. No. CS-0152046
  • Purity≥97%
  • MDL No.MFCD00059244

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

Propyl 4-methylbenzenesulfonate|CS-0152046

Structure of 599-91-7

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General Information

  • CAS No. 599-91-7
  • Cat. No. CS-0152046
  • Purity ≥97%
  • MDL No. MFCD00059244
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄O₃S
  • Molecular Weight 214.28
  • Synonym(s) 4-Methyl-benzenesulfonic acid propyl ester
  • SMILES CCCOS(=O)(=O)C1=CC=C(C)C=C1

Synthesis

  • Route1
    • null|null
      71-23-8
    • null|null
      98-59-9
    • ~93%
    • In-stock
      Propyl 4-methylbenzenesulfonate|CS-0152046
      599-91-7

    References

    • Burns, Dennis H.; Miller, Jeffrey D.; Chan, Ho-Kit; Delaney, Michael O. Journal of the American Chemical Society, 1997 , vol. 119, # 9 p. 2125 - 2133
  • Route2
    • null|null
      104-15-4
    • null|null
      143885-02-3
    • ~96%
    • In-stock
      Sulfonimidoyldibenzene|CS-0149648
      22731-83-5
    • In-stock
      Propyl 4-methylbenzenesulfonate|CS-0152046
      599-91-7

    References

    • Hao, Wei; Fujii, Takayoshi; Dong, Tiaoling; Wakai, Youko; Yoshimura, Toshiaki Heteroatom Chemistry, 2004 , vol. 15, # 3 p. 193 - 198
  • Route3
    • null|null
      1789-95-3
    • null|null
      80-48-8
    • ~%
    • null|null
      18755-43-6
    • null|null
      18755-44-7
    • In-stock
      Propyl 4-methylbenzenesulfonate|CS-0152046
      599-91-7

    References

    • Journal of Organic Chemistry, , vol. 34, p. 681 - 685

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   43.37
  • LogP   2.11032
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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