Cas no 4455-13-4 (Ethyl (methylthio)acetate)

Ethyl (methylthio)acetate is a sulfur-containing ester with the molecular formula C?H??O?S. It is characterized by its distinctive thioether functional group, which imparts reactivity useful in organic synthesis and flavor/fragrance applications. The compound serves as a versatile intermediate in the production of pharmaceuticals, agrochemicals, and specialty chemicals due to its ability to introduce methylthio and acetate moieties. Its moderate volatility and stability under standard conditions make it suitable for controlled reactions. Ethyl (methylthio)acetate is also employed in the synthesis of heterocyclic compounds and as a precursor for sulfur-modified analogs in research. Proper handling is advised due to its potential sensitivity to strong oxidizers.
Ethyl (methylthio)acetate structure
Ethyl (methylthio)acetate structure
Product Name:Ethyl (methylthio)acetate
CAS No:4455-13-4
MF:C5H10O2S
MW:134.196700572968
MDL:MFCD00009182
CID:45074
PubChem ID:78199
Update Time:2025-11-02

Ethyl (methylthio)acetate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2-(methylthio)acetate
    • Ethyl (methylthio)acetate
    • ethyl 2-methylsulfanylacetate
    • Ethyl α-(methylthio)acetate
    • (Methylthio)acetic Acid Ethyl Ester
    • Acetic acid, (methylthio)-, ethyl ester
    • Ethyl 2-(methylthio)-acetate
    • Ethyl alpha-(methylthio)acetate
    • ethyl 2-(methylsulfanyl)acetate
    • Ethyl .alpha.(methylthio)acetate
    • MDIAKIHKBBNYHF-UHFFFAOYSA-N
    • 6148QQN25T
    • methylsulfanyl-acetic acid ethyl ester
    • MeSCH2CO2Et
    • ethyl ((methylthio)acetate
    • Ethyl a-(methylthio)a
    • MDL: MFCD00009182
    • Inchi: 1S/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3
    • InChI Key: MDIAKIHKBBNYHF-UHFFFAOYSA-N
    • SMILES: CCOC(CSC)=O
    • BRN: 1744999

Computed Properties

  • Exact Mass: 134.04000
  • Monoisotopic Mass: 134.04015
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 4
  • Complexity: 72.8
  • 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: nothing
  • XLogP3: 1.2
  • Topological Polar Surface Area: 51.6

Experimental Properties

  • Color/Form: colorless liquid
  • Density: 1.043?g/mL?at 25?°C(lit.)
  • Boiling Point: 70-72?°C/25?mmHg(lit.)
  • Flash Point: Fahrenheit: 138.2 ° f
    Celsius: 59 ° c
  • Refractive Index: n20/D 1.459(lit.)
  • Water Partition Coefficient: Miscible with alcohol. Immiscible with water.
  • PSA: 51.60000
  • LogP: 0.91250
  • Sensitiveness: Moisture Sensitive
  • FEMA: 3835 | ETHYL 2-(METHYLTHIO)ACETATE
  • Solubility: Uncertain

Ethyl (methylthio)acetate Security Information

  • Symbol: GHS02 GHS07
  • Prompt:warning
  • Signal Word:Warning
  • Hazard Statement: H226-H315-H319-H335
  • Warning Statement: P261-P305+P351+P338
  • Hazardous Material transportation number:UN 3272 3/PG 3
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26-S36
  • Hazardous Material Identification: Xi
  • HazardClass:3
  • PackingGroup:III
  • Packing Group:III
  • Hazard Level:3
  • Safety Term:3
  • Packing Group:III
  • Risk Phrases:R10

Ethyl (methylthio)acetate 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%

Ethyl (methylthio)acetate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
209716-25G
Ethyl (methylthio)acetate
4455-13-4
25g
¥817.13 2023-12-09
SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd.
E832278-100g
Ethyl (methylthio)acetate
4455-13-4 98%
100g
484.00 2021-05-17
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
W383503-SAMPLE
Ethyl (methylthio)acetate
4455-13-4 ≥98%, FG
587.6 2021-05-17
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
W383503-100G
Ethyl (methylthio)acetate
4455-13-4
100g
¥1652.49 2023-11-12
XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd.
W383503-1KG
Ethyl (methylthio)acetate
4455-13-4
1kg
¥13287.61 2023-11-12
TRC
E929210-10g
Ethyl (Methylthio)acetate
4455-13-4
10g
$ 55.00 2022-06-05
TRC
E929210-25g
Ethyl (Methylthio)acetate
4455-13-4
25g
$ 85.00 2022-06-05
TRC
E929210-100g
Ethyl (Methylthio)acetate
4455-13-4
100g
$ 250.00 2022-06-05
abcr
AB133360-25 g
Ethyl (methylthio)acetate, 98%; .
4455-13-4 98%
25g
€48.80 2023-06-24
abcr
AB133360-100 g
Ethyl (methylthio)acetate, 98%; .
4455-13-4 98%
100g
€140.10 2023-06-24

Ethyl (methylthio)acetate Suppliers

Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:4455-13-4)ETHYL (METHYLTHIO)ACETATE
Order Number:sfd7726
Stock Status:in Stock
Quantity:200kg
Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:34
Price ($):discuss personally
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:4455-13-4)Ethyl (Methylthio)acetate, ≥ 98.0%
Order Number:LE17310
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:16
Price ($):discuss personally

Ethyl (methylthio)acetate Related Literature

  • 1. Synthesis of fused 1λ4,2-thiazines(2-azathiabenzenes)
    Raymond S. Gairns,Richard D. Grant,Christopher J. Moody,Charles W. Rees,Siu Chung Tsoi J. Chem. Soc. Perkin Trans. 1 1986 483
  • 2. Additions of stabilised and semi-stabilised sulfur ylides to tosyl protected imines: are they under kinetic or thermodynamic control?
    Varinder K. Aggarwal,Jonathan P. H. Charmant,Cinzia Ciampi,Jonathan M. Hornby,Christopher J. O'Brien,George Hynd,Richard Parsons J. Chem. Soc. Perkin Trans. 1 2001 3159

Additional information on Ethyl (methylthio)acetate

Ethyl (methylthio)acetate (CAS 4455-13-4): A Versatile Sulfur-Containing Ester in Modern Chemistry

Ethyl (methylthio)acetate (CAS 4455-13-4) is an organosulfur compound with the molecular formula C5H10O2S. This sulfur-containing ester has gained significant attention in recent years due to its unique chemical properties and wide-ranging applications in flavor and fragrance industries, pharmaceutical intermediates, and organic synthesis. The compound's distinctive methylthio group contributes to its characteristic odor and reactivity patterns, making it valuable for various chemical transformations.

The growing interest in sulfur-based compounds like Ethyl (methylthio)acetate aligns with current trends in green chemistry and sustainable synthesis. Researchers are increasingly exploring such molecules as building blocks for more complex structures, particularly in the development of bioactive molecules and natural product analogs. The compound's CAS number 4455-13-4 serves as a unique identifier in chemical databases, facilitating research and commercial transactions.

From a structural perspective, Ethyl (methylthio)acetate features an ester functional group adjacent to a thioether moiety, creating interesting electronic effects that influence its reactivity. This combination makes the compound particularly useful in nucleophilic substitution reactions and as a precursor for heterocyclic compound synthesis. The presence of both oxygen and sulfur atoms in the molecule provides multiple sites for chemical modification, expanding its utility in medicinal chemistry applications.

The flavor industry has shown particular interest in Ethyl (methylthio)acetate CAS 4455-13-4 due to its ability to contribute to tropical fruit aromas and meaty flavor notes. As consumer demand for natural-like flavorings increases, this compound has become more prominent in formulations aiming to replicate complex natural profiles. Its use in food additives is carefully regulated, with ongoing research into its sensory properties and threshold concentrations.

In organic synthesis laboratories, Ethyl (methylthio)acetate serves as a valuable reagent for introducing sulfur-containing functional groups into target molecules. Recent publications highlight its role in the synthesis of thiazole derivatives and other sulfur heterocycles, which are important scaffolds in drug discovery. The compound's reactivity with amines and carbonyl compounds makes it versatile for constructing complex molecular architectures.

The commercial availability of Ethyl (methylthio)acetate 4455-13-4 has improved significantly in recent years, with multiple suppliers offering the compound in various purity grades. Quality control typically involves gas chromatography analysis to verify purity and confirm the absence of impurities that might affect its performance in sensitive applications. Storage recommendations generally suggest keeping the material in cool, dry conditions away from strong oxidizers to maintain stability.

Environmental and safety considerations for Ethyl (methylthio)acetate follow standard protocols for handling organic sulfur compounds. While not classified as highly hazardous, proper laboratory ventilation and personal protective equipment are recommended when working with this chemical. Researchers investigating its applications often explore biodegradation pathways and environmental fate as part of comprehensive safety assessments.

Future research directions for CAS 4455-13-4 may focus on expanding its utility in asymmetric synthesis and developing more efficient catalytic processes for its production. The growing field of sulfur chemistry continues to uncover new applications for compounds like Ethyl (methylthio)acetate, particularly in areas such as material science and agrochemical development. Its relatively simple structure belies significant potential for creating more complex, functional molecules.

For chemists seeking reliable sulfur building blocks, Ethyl (methylthio)acetate represents an accessible option with well-characterized properties. The compound's commercial availability, combined with its diverse reactivity, ensures its continued importance in both academic and industrial settings. As synthetic methodologies advance, this versatile ester will likely find even broader application across multiple chemistry disciplines.

Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
(CAS:4455-13-4)ETHYL (METHYLTHIO)ACETATE
sfd7726
Purity:99.9%
Quantity:200kg
Price ($):Inquiry
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:4455-13-4)Ethyl (Methylthio)acetate, ≥ 98.0%
LE17310
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email