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CS-W001157 4
Total: USD 88.00

Methyl 4-(phenylsulfanyl)butanoate

  • CAS No. 29193-71-3

  • Cat. No. CS-0236972
  • Molecule weight210.29
  • Purity≥95%
  • MDL No.None

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

Methyl 4-(phenylsulfanyl)butanoate|CS-0236972

Structure of 29193-71-3

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General Information

  • CAS No. 29193-71-3
  • Cat. No. CS-0236972
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₂S
  • Molecular Weight 210.29
  • Synonym(s) Methyl 4-phenylsulfanylbutyrate
  • SMILES COC(=O)CCCSC1=CC=CC=C1

Synthesis

  • Route1

    References

    • UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION; HUKRIEDE, Neil; DAY, Billy, W.; MCDERMOTT, Lee, A. Patent: WO2014/71000 A1, 2014 ; Location in patent: Paragraph 00102 ;
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    • Methyl 4-(phenylsulfanyl)butanoate|CS-0236972
      29193-71-3

    References

    • Flowers, William T.; Freitas, Ana M.; Holt, Geoffrey; Purkiss, Stuart C. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981 , p. 1119 - 1124
  • Route3
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      75384-19-9
    • ~%
    • Methyl 4-(phenylsulfanyl)butanoate|CS-0236972
      29193-71-3

    References

    • Flowers, William T.; Freitas, Ana M.; Holt, Geoffrey; Purkiss, Stuart C. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1981 , p. 1119 - 1124

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-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.7319
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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