≥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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504763742 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763742 |
| Canonical Smiles | CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O |
| IUPAC Name | 2,3-dihydroxypropyl (E)-octadec-9-enoate |
| InChIKey | RZRNAYUHWVFMIP-MDZDMXLPSA-N |
| INCHI | 1S/C21H40O4/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/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9+ |
| Isomeric SMILES | CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO)O |
| Molecular Weight | 356.55 |
| Reaxy-Rn | 1728976 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1728976&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 | Glycerolipids |
| Subclass | Monoradylglycerols |
| Intermediate Tree Nodes | Monoacylglycerols |
| Direct Parent | 1-monoacylglycerols |
| Alternative Parents | 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 | 1-acyl-sn-glycerol - Fatty acid ester - Fatty acyl - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alcohol - Organic oxide - Organooxygen compound - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position. |
| External Descriptors | Not available |
| Solubility | Solubility in hot Methanol almost transparency |
|---|---|
| Melt Point(°C) | 56-59℃ |
| Molecular Weight | 356.500 g/mol |
| XLogP3 | 6.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 19 |
| Exact Mass | 356.293 Da |
| Monoisotopic Mass | 356.293 Da |
| Topological Polar Surface Area | 66.800 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 315.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
| 1. Fu Fangqin, Li Xin, Zheng Tengyi, Xia Xiao, Du Minqun, Huang Zhengwei, Huang Ying, Pan Xin, Wu Chuanbin. (2021) Stability Evaluation of Lyotropic Liquid Crystalline Precursor for the Co-delivery of Chlorhexidine and Silver Nanoparticles. AAPS PHARMSCITECH, 22 (7): (1-9). [PMID:34545436] [10.1208/s12249-021-02102-x] |
| 2. Shangde Sun, Xuebei Hou. (2019) A novel caffeic acid-based deep eutectic solvent as caffeoyl donor to enhance glycerol caffeates synthesis. JOURNAL OF MOLECULAR LIQUIDS, [PMID:] [10.1016/j.molliq.2018.12.145] |
| 3. Tengyi Zheng, Xintian Huang, Jintian Chen, Disang Feng, Liling Mei, Ying Huang, Guilan Quan, Chune Zhu, Vikramjeet Singh, Hao Ran, Xin Pan, Chuan-Yu Wu, Chuanbin Wu. (2018) A liquid crystalline precursor incorporating chlorhexidine acetate and silver nanoparticles for root canal disinfection. Biomaterials Science, 6 (3): (596-603). [PMID:29406548] [10.1039/C7BM00764G] |
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