analytical standard Analytical standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | CCCCCC=CCC=CCCCCCCCC(=O)OCC(CO)O |
|---|---|
| IUPAC Name | 2,3-dihydroxypropyl (9Z,12Z)-octadeca-9,12-dienoate |
| InChIKey | WECGLUPZRHILCT-HZJYTTRNSA-N |
| INCHI | 1S/C21H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,20,22-23H,2-5,8,11-19H2,1H3/b7-6-,10-9- |
| Isomeric SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(CO)O |
| Molecular Weight | 354.52 |
| Reaxy-Rn | 11461271 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11461271&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 | Lineolic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Lineolic acids and derivatives |
| Alternative Parents | 1-monoacylglycerols Fatty acid esters Secondary alcohols Carboxylic acid esters 1,2-diols Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Octadecanoid - 1-acyl-sn-glycerol - Monoradylglycerol - Monoacylglycerol - Fatty acid ester - Glycerolipid - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. |
| External Descriptors | Monoacylglycerols |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Molecular Weight | 354.500 g/mol |
|---|---|
| XLogP3 | 5.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 18 |
| Exact Mass | 354.277 Da |
| Monoisotopic Mass | 354.277 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 350.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 2 |
| Covalently-Bonded Unit Count | 1 |
| 1. Youning Zou, Jiahao Ren, Yiting Fan, Yifang Cao, Yijia Xie, Xinglong Xiao, Fengsong Liu. (2025) Enhanced hydrophobicity, antioxidant activity, and antimicrobial efficacy of edible starch-based films incorporating pullulan and geraniol for fresh salmon preservation. Food Packaging and Shelf Life, [PMID:] [10.1016/j.fpsl.2025.101530] |
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