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CS-W001157 4
Total: USD 88.00

Ethyl 2-(methylthio)acetate

  • CAS No. 4455-13-4

  • Cat. No. CS-0133049
  • Molecule weight134.20
  • Purity≥98%
  • MDL No.MFCD00009182

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

Ethyl 2-(methylthio)acetate|CS-0133049

Structure of 4455-13-4

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General Information

  • CAS No. 4455-13-4
  • Cat. No. CS-0133049
  • Purity ≥98%
  • MDL No. MFCD00009182
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₁₀O₂S
  • Molecular Weight 134.20
  • Synonym(s) Ethyl (methylthio)acetate
  • SMILES O=C(OCC)CSC

Description

In fruit volatile profiles, Ethyl (methylthio)acetate (CAS 4455-13-4) contributes sulfurous ester signatures characteristic of ripe apple and melon aromas through metabolic biosynthesis.

Application

Ethyl (methylthio)acetate (CAS 4455-13-4) serves as a critical internal standard in the quantitative analysis of volatile sulfur compounds in port wines, enabling precise calibration across complex matrixes. It ensures reliable detection limits. This setup streamlines accurate profiling of key aroma markers during sensory and quality control assessments.

Synthesis

  • Route1
    • null|null
      64-17-5
    • In-stock
      2-(Methylthio)acetic acid|CS-0015159
      2444-37-3
    • ~78%
    • In-stock
      Ethyl 2-(methylthio)acetate|CS-0133049
      4455-13-4

    References

    • US2010/324314 A1, ; Page/Page column 15-16 ;
  • Route2
    • null|null
      623-51-8
    • null|null
      74-88-4
    • ~%
    • In-stock
      Ethyl 2-(methylthio)acetate|CS-0133049
      4455-13-4

    References

    • Bulletin of the Chemical Society of Japan, , vol. 52, p. 3619 - 3625
  • Route3
    • null|null
      105-36-2
    • null|null
      5188-07-8
    • ~53%
    • In-stock
      Ethyl 2-(methylthio)acetate|CS-0133049
      4455-13-4

    References

    • US2006/4046 A1, ; Page/Page column 44 ; US 20060004046 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Warning
UN#: 3272
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   0.9125
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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