Methyl (methylthio)acetate - ≥98% , CAS No.16630-66-3

CAS: 16630-66-3 Cat. No.: M120419 Summenformel: CH₃SCH₂COOCH₃ Molekulargewicht: 120.17 Beilstein Registry Number: 1902431 EG-Nummer: 240-683-4

GRADE & PURITY ≥98%

Synonyms

AMY10908 | GN58C28ML9 | Methyl (methylthio)acetate, FG | NSC-172140 | Methyl (methylthio)acetate, 98% | DTXSID20168090 | (Methylthio)acetic Acid Methyl Ester | Q27279184 | l-Epinephrine.HCl | Methyl (methylthio)acetate | methyl 2-methylsulanylacetate | CA

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

Methyl (methylthio)acetate is a thioether ester and is considered of importance to the aroma profiles of Cucumis melo fruit.It is identified as new sulfur volatile in strawberry.
Methyl (methylthio)acetate may be used in chemical synthesis.

Specifications

Synonyme

AMY10908 | GN58C28ML9 | Methyl (methylthio)acetate, FG | NSC-172140 | Methyl (methylthio)acetate, 98% | DTXSID20168090 | (Methylthio)acetic Acid Methyl Ester | Q27279184 | l-Epinephrine.HCl | Methyl (methylthio)acetate | methyl 2-methylsulanylacetate | CA

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504755815

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755815

Kanonisches Lächeln

COC(=O)CSC

IUPAC Name

methyl 2-methylsulfanylacetate

InChIKey

HZYCAKGEXXKCDM-UHFFFAOYSA-N

INCHI

1S/C4H8O2S/c1-6-4(5)3-7-2/h3H2,1-2H3

Isomere SMILES

COC(=O)CSC

WGK Deutschland

3

Molekulargewicht

120.17

Beilstein

1902431

Reaxy-Rn

1902431

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1902431&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Ebene5 Carboxylic acid esters
          • Ebene6 Methyl esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters
• Direct Parent: Methyl esters
• Alternative Parents: Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Methyl ester - Dialkylthioether - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as methyl esters. These are organic compounds containing a carboxyl group that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=H or organyl group and R'=methyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Empfindlichkeit: heat sensitive
• Brechungsindex: 1.465
• Flammpunkt (°F): 136.4 °F
• Flammpunkt (°C): 58°C(Lit.)
• Siedepunkt (°C): 60°C/14mmHg
• Molekulargewicht: 120.170 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 120.025 Da
• Monoisotopic Mass: 120.025 Da
• Topological Polar Surface Area: 51.600 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 62.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 16630-66-3, the molecular formula is C4H8O2S, and the molecular weight is 120.17 g/mol. InChIKey HZYCAKGEXXKCDM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.