≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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.
| Pubchem Sid | 488183547 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183547 |
| Canonical Smiles | CCCC(CCOC(=O)C)SC |
| IUPAC Name | 3-methylsulfanylhexyl acetate |
| InChIKey | VIQXICKUKPVFRK-UHFFFAOYSA-N |
| INCHI | 1S/C9H18O2S/c1-4-5-9(12-3)6-7-11-8(2)10/h9H,4-7H2,1-3H3 |
| Isomeric SMILES | CCCC(CCOC(=O)C)SC |
| WGK Germany | 3 |
| Molecular Weight | 190.3 |
| Reaxy-Rn | 28976711 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28976711&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 | Not available |
| Direct Parent | Carboxylic acid esters |
| Alternative Parents | Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Carboxylic acid 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 carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester 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 |
|---|---|---|---|
 E1708075 | Certificate of Analysis | Jan 06, 2025 | M102993 |
| G2422093 | Certificate of Analysis | Jul 10, 2024 | M102993 |
| G2422094 | Certificate of Analysis | Jul 10, 2024 | M102993 |
| H2506056 | Certificate of Analysis | Jul 10, 2024 | M102993 |
| D2318410 | Certificate of Analysis | Apr 25, 2023 | M102993 |
| D2318408 | Certificate of Analysis | Apr 25, 2023 | M102993 |
| Refractive Index | 1.464 |
|---|---|
| Flash Point(°F) | 76 °C |
| Flash Point(°C) | 76°C |
| Boil Point(°C) | 216°C |
| Molecular Weight | 190.310 g/mol |
| XLogP3 | 2.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 7 |
| Exact Mass | 190.103 Da |
| Monoisotopic Mass | 190.103 Da |
| Topological Polar Surface Area | 51.600 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 126.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
