≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
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.
| Pubchem Sid | 504755815 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755815 |
| Canonical Smiles | 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 |
| Isomeric SMILES | COC(=O)CSC |
| WGK Germany | 3 |
| Molecular Weight | 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= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | 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 |
| Description | 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2303807 | Certificate of Analysis | Jul 15, 2023 | M120419 |
| H2303808 | Certificate of Analysis | Jul 15, 2023 | M120419 |
| H2303809 | Certificate of Analysis | Jul 15, 2023 | M120419 |
| H2303810 | Certificate of Analysis | Jul 15, 2023 | M120419 |
| Sensitivity | heat sensitive |
|---|---|
| Refractive Index | 1.465 |
| Flash Point(°F) | 136.4 °F |
| Flash Point(°C) | 58°C(Lit.) |
| Boil Point(°C) | 60°C/14mmHg |
| Molecular Weight | 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 |
