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CS-W001157 4
Total: USD 88.00

Pentan-2-yl 4-methylbenzene-1-sulfonate

  • CAS No. 3813-69-2

  • Cat. No. CS-0259483
  • Purity≥98%
  • MDL No.None

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

Pentan-2-yl 4-methylbenzene-1-sulfonate|CS-0259483

Structure of 3813-69-2

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General Information

  • CAS No. 3813-69-2
  • Cat. No. CS-0259483
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₈O₃S
  • Molecular Weight 242.33
  • Synonym(s) 2-Pentyl p-toluenesulfonate
  • SMILES O=S(C1=CC=C(C)C=C1)(OC(CCC)C)=O

Synthesis

  • Route1
    • null|null
      6032-29-7
    • null|null
      98-59-9
    • ~91%
    • Pentan-2-yl 4-methylbenzene-1-sulfonate|CS-0259483
      3813-69-2

    References

    • THE JOHNS HOPKINS UNIVERSITY; LIU, Jun, O.; SHI, Wei; PASUNOOTI, Kalyan, Kumar Patent: WO2013/36866 A1, 2013 ; Location in patent: Paragraph 0252 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.88892
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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