≥90% 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488183148 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183148 |
| Canonical Smiles | CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC |
| IUPAC Name | dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate |
| InChIKey | GHKOFFNLGXMVNJ-UHFFFAOYSA-N |
| INCHI | 1S/C30H58O4S/c1-3-5-7-9-11-13-15-17-19-21-25-33-29(31)23-27-35-28-24-30(32)34-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3 |
| Isomeric SMILES | CCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC |
| WGK Germany | 1 |
| RTECS | UF8000000 |
| Molecular Weight | 514.85 |
| Reaxy-Rn | 1808848 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1808848&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 | Dicarboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dicarboxylic acids and derivatives |
| Alternative Parents | Carboxylic acid esters Sulfenyl compounds Dialkylthioethers Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Dicarboxylic acid or derivatives - Carboxylic acid ester - Dialkylthioether - Sulfenyl compound - Thioether - 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 dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. |
| 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 |
|---|---|---|---|
 E1826033 | Certificate of Analysis | Jan 05, 2026 | D154974 |
| B2212062 | Certificate of Analysis | Oct 30, 2025 | D154974 |
| B2212081 | Certificate of Analysis | Oct 30, 2025 | D154974 |
| B2212088 | Certificate of Analysis | Oct 30, 2025 | D154974 |
| B2212098 | Certificate of Analysis | Oct 30, 2025 | D154974 |
| G2430064 | Certificate of Analysis | May 07, 2024 | D154974 |
| G2430065 | Certificate of Analysis | May 07, 2024 | D154974 |
| G2430066 | Certificate of Analysis | May 07, 2024 | D154974 |
| B2311409 | Certificate of Analysis | Dec 13, 2021 | D154974 |
| C2320432 | Certificate of Analysis | Dec 13, 2021 | D154974 |
| C2331012 | Certificate of Analysis | Dec 13, 2021 | D154974 |
| F2328183 | Certificate of Analysis | Dec 13, 2021 | D154974 |
| Flash Point(°F) | 235.4 °F |
|---|---|
| Flash Point(°C) | 113 °C |
| Melt Point(°C) | 40-42 °C |
| Molecular Weight | 514.799 g/mol |
| XLogP3 | 11.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 30 |
| Exact Mass | 514.406 Da |
| Monoisotopic Mass | 514.406 Da |
| Topological Polar Surface Area | 77.900 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 416.000 |
| 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 |
| 1. Wang Xin, Liu Purui, Cao Chuanxi, Yan Qinhan, Qin Ruoshan, He Dengqi. (2026) NIR-activated phase-transition thermal-propagation nanosystem for precision photothermal eradication of malignant melanoma. Cancer Nanotechnology, [PMID:] [10.1186/s12645-026-00366-1] |
