| Pubchem Sid | 504752539 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752539 |
| Sonrisas canónicas | CCCCCCCCCCCCCCCCCCCC(=O)OC |
| IUPAC Name | methyl icosanoate |
| InChIKey | QGBRLVONZXHAKJ-UHFFFAOYSA-N |
| INCHI | 1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3 |
| Isómeros SMILES | CCCCCCCCCCCCCCCCCCCC(=O)OC |
| WGK Alemania | 1 |
| Peso molecular | 326.56 |
| Beilstein | 1791385 |
| Reaxy-Rn | 1791385 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1791385&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 |
| Clase | Fatty Acyls |
| Subclass | Fatty acid esters |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fatty acid methyl esters |
| Alternative Parents | Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Fatty acid methyl ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl 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 | Fecha | Articulo |
|---|---|---|---|
 K2228249 | Certificate of Analysis | Jun 09, 2026 | M101216 |
| D1816045 | Certificate of Analysis | Jul 09, 2025 | M101216 |
| F2520502 | Certificate of Analysis | Jun 25, 2025 | M101216 |
| F2520503 | Certificate of Analysis | Jun 25, 2025 | M101216 |
| F2520501 | Certificate of Analysis | Jun 25, 2025 | M101216 |
| F2520504 | Certificate of Analysis | Jun 25, 2025 | M101216 |
| D2501047 | Certificate of Analysis | Apr 11, 2025 | M101216 |
| B2520010 | Certificate of Analysis | Sep 05, 2024 | M101216 |
| G2405221 | Certificate of Analysis | Mar 23, 2024 | M101216 |
| G2405222 | Certificate of Analysis | Mar 23, 2024 | M101216 |
| D1816044 | Certificate of Analysis | Jul 31, 2023 | M101216 |
| L1804148 | Certificate of Analysis | Sep 19, 2022 | M101216 |
| L1804147 | Certificate of Analysis | Aug 08, 2022 | M101216 |
| Índice de refracción | 1.4317 |
|---|---|
| Punto de inflamación (°C) | >113°C |
| Punto de ebullición (°C) | 215-216 °C/10 mmHg (lit.) |
| Punto de fusión (°C) | 45-48°C |
| Peso molecular | 326.600 g/mol |
| XLogP3 | 10.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 19 |
| Exact Mass | 326.318 Da |
| Monoisotopic Mass | 326.318 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 238.000 |
| 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. Dongren Cai, Guowu Zhan, Jingran Xiao, Shu-Feng Zhou, Ting Qiu. (2020) Design and synthesis of novel amphipathic ionic liquids for biodiesel production from soapberry oil. RENEWABLE ENERGY, [PMID:] [10.1016/j.renene.2020.12.051] |
| 2. Dongren Cai, Yiwei Xie, Ling Li, Jieyong Ren, Xiaocheng Lin, Ting Qiu. (2018) Design and synthesis of novel Brønsted-Lewis acidic ionic liquid and its application in biodiesel production from soapberry oil. ENERGY CONVERSION AND MANAGEMENT, [PMID:] [10.1016/j.enconman.2018.04.036] |
| 3. Hongxu Zhou, Qing Jiang, Xin He, Xian Fu, Jun-Yan Liu. (2024) A complementary method with PFBBr-derivatization based on GC-EI-MS platform for the simultaneous quantitation of short-, medium- and long -chain fatty acids in murine plasma and feces samples. Analytical Methods, [PMID:38562090] [10.1039/D3AY02271D] |
| 4. Dengke Li, Qinghao Shi, Fengbing Liang, Dexin Feng. (2024) The Green Synthesis of Biodiesel via Esterification in Water Catalyzed by the Phosphotungstic Acid–Functionalized Hydrophobic MCM–41 Catalyst. Catalysts, 14 (2): (142). [PMID:] [10.3390/catal14020142] |
