Cas no 20996-62-7 ((ETHYLTHIO)ACETONE)

(ETHYLTHIO)ACETONE structure
(ETHYLTHIO)ACETONE structure
Product Name:(ETHYLTHIO)ACETONE
CAS No:20996-62-7
MF:C5H10OS
MW:118.197300434113
MDL:MFCD00026976
CID:88235
PubChem ID:88750
Update Time:2025-07-15

(ETHYLTHIO)ACETONE Chemical and Physical Properties

Names and Identifiers

    • (ETHYLTHIO)ACETONE
    • 1-ethylsulfanylpropan-2-one
    • Ethyl 2-oxopropyl sulfide
    • 1-ethylsulfanyl-propan-2-one
    • acetonyl ethyl sulfide
    • Aethyl-acetonyl-sulfid
    • Aethylmercapto-aceton
    • ethylsulfanyl-acetone
    • ethylthio-2-propanone
    • NSC-100147
    • AKOS009159190
    • 1-(Ethylthio)acetone
    • .alpha.-(Ethylthio)acetone
    • Thioethoxy acetone
    • 20996-62-7
    • 2-Propanone, 1-(ethylthio)-
    • 1-(Ethylthio)-2-propanone
    • EINECS 244-143-9
    • NS00026769
    • NSC100147
    • ZKDXKBIOEVBFGV-UHFFFAOYSA-N
    • 1-(Ethylsulfanyl)acetone #
    • SCHEMBL980824
    • FT-0604966
    • 1-(ethylthio)propan-2-one
    • DTXSID00175207
    • MFCD00026976
    • NSC 100147
    • 2-Propanone,1-(ethylthio)-
    • CH3COCH2SCH2CH3
    • DB-045449
    • 1-(ethylsulfanyl)propan-2-one
    • MDL: MFCD00026976
    • Inchi: 1S/C5H10OS/c1-3-7-4-5(2)6/h3-4H2,1-2H3
    • InChI Key: ZKDXKBIOEVBFGV-UHFFFAOYSA-N
    • SMILES: S(CC)CC(C)=O
    • BRN: 1740830

Computed Properties

  • Exact Mass: 118.04500
  • Monoisotopic Mass: 118.045
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 3
  • Complexity: 61.1
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 1
  • Topological Polar Surface Area: 42.4A^2

Experimental Properties

  • Color/Form: {"from":"zh","to":"en","trans_result":[{"src":"\u672a\u786e\u5b9a","dst":"Not determined"},{"src":"2.\u00a0\u5bc6\u5ea6\uff08g\/mL,25\/4\u2103\uff09","dst":"2. density (g\/ml, 25\/4 \u2103)"}]}
  • Density: 0.967
  • Boiling Point: 170-172°C
  • Flash Point: 52°C
  • Refractive Index: 1.4720
  • PSA: 42.37000
  • LogP: 1.32850

(ETHYLTHIO)ACETONE Security Information

  • Hazardous Material transportation number:UN 1993
  • Hazard Category Code: 10
  • Safety Instruction: S23-S24/25
  • HazardClass:3
  • PackingGroup:III
  • Packing Group:III
  • Risk Phrases:R10
  • Safety Term:S23;S24/25

(ETHYLTHIO)ACETONE Customs Data

  • HS CODE:2930909090
  • Customs Data:

    China Customs Code:

    2930909090

    Overview:

    2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

(ETHYLTHIO)ACETONE Pricemore >>

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Additional information on (ETHYLTHIO)ACETONE

(ETHYLTHIO)ACETONE (CAS No. 20996-62-7): Properties, Applications, and Industry Insights

(ETHYLTHIO)ACETONE, with the CAS number 20996-62-7, is a specialized organic compound that has garnered attention in various industrial and research applications. This sulfur-containing ketone is known for its unique chemical properties, making it a valuable intermediate in synthetic chemistry. In recent years, the demand for sulfur-functionalized compounds has increased, driven by their role in pharmaceuticals, agrochemicals, and fragrance formulations. This article delves into the molecular structure, synthesis methods, and industrial uses of (ETHYLTHIO)ACETONE, while addressing common queries from researchers and industry professionals.

The chemical formula of (ETHYLTHIO)ACETONE is C5H10OS, featuring an ethylthio group (-SC2H5) attached to a acetone moiety. This combination imparts distinct reactivity, particularly in nucleophilic substitution and condensation reactions. Researchers often explore its solubility in organic solvents like ethanol and diethyl ether, which is critical for laboratory-scale applications. Recent studies highlight its potential as a flavoring agent due to its mild, sulfurous aroma, aligning with the growing trend of natural and synthetic flavor enhancers in the food industry.

One of the most searched questions about (ETHYLTHIO)ACETONE revolves around its synthesis pathway. Typically, it is produced via the reaction of sodium ethylthiolate with chloroacetone, a method favored for its high yield and scalability. Alternative routes, such as the thiol-ene reaction, are also gaining traction due to their green chemistry benefits. This aligns with the broader industry shift toward sustainable synthesis, a topic frequently discussed in academic and industrial forums.

In the pharmaceutical sector, (ETHYLTHIO)ACETONE serves as a precursor for heterocyclic compounds, which are foundational in drug development. Its thioether linkage enhances the bioavailability of certain active ingredients, a property highly sought after in medicinal chemistry. Additionally, its role in polymer chemistry is under investigation, particularly in the design of sulfur-modified polymers with improved thermal stability.

The safety profile of (ETHYLTHIO)ACETONE is another area of interest. While it is not classified as a hazardous substance, proper handling protocols, including the use of personal protective equipment (PPE), are recommended. This aligns with the increasing focus on laboratory safety standards and regulatory compliance in chemical manufacturing.

In conclusion, (ETHYLTHIO)ACETONE (CAS No. 20996-62-7) is a versatile compound with applications spanning flavor synthesis, pharmaceutical intermediates, and material science. Its unique chemical properties and synthetic adaptability make it a subject of ongoing research, particularly in the context of sustainable chemistry and industrial innovation. For researchers and manufacturers, understanding its reactivity and applications is key to unlocking its full potential.

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