≥95%(T) 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 | 488201716 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488201716 |
| Canonical Smiles | CCCCCCCCCCCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)O)O)O |
| IUPAC Name | [(2S)-2-[(2R)-3,4-dihydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] octadecanoate |
| InChIKey | LITUBCVUXPBCGA-WMZHIEFXSA-N |
| INCHI | 1S/C24H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)30-18-19(25)23-21(27)22(28)24(29)31-23/h19,23,25,27-28H,2-18H2,1H3/t19-,23+/m0/s1 |
| Isomeric SMILES | CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O |
| RTECS | CI7671310 |
| Molecular Weight | 442.59 |
| Reaxy-Rn | 354832 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=354832&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 | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid esters |
| Alternative Parents | Dicarboxylic acids and derivatives Butenolides Vinylogous acids Enoate esters Secondary alcohols Lactones Enediols Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Fatty acid ester - 2-furanone - Dicarboxylic acid or derivatives - Dihydrofuran - Enoate ester - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Enediol - Lactone - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Organooxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. |
| 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 |
|---|---|---|---|
 K2117154 | Certificate of Analysis | Sep 04, 2025 | O159941 |
| K2117157 | Certificate of Analysis | Sep 04, 2025 | O159941 |
| K2117158 | Certificate of Analysis | Sep 04, 2025 | O159941 |
| G2404181 | Certificate of Analysis | Apr 26, 2024 | O159941 |
| Refractive Index | 21° |
|---|---|
| Specific Rotation[α] | 21° (C=1,EtOH) |
| Melt Point(°C) | 117 °C |
| Molecular Weight | 442.600 g/mol |
| XLogP3 | 7.300 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 20 |
| Exact Mass | 442.293 Da |
| Monoisotopic Mass | 442.293 Da |
| Topological Polar Surface Area | 113.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 544.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
