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Basic Description
| Synonyms | AKOS027320366 | SCHEMBL863515 | Erucic acid, methyl ester | Methyl 13-docosenoate-, cis- | EINECS 214-305-3 | DS-11285 | J-002694 | Methyl (Z)-docos-13-enoate | Methyl erucate | (Z)-Methyldocos-13-enoate | DT8R52277S | UNII-DT8R52277S | 13-DOCOSENOIC ACID |
|---|---|
| Specifications & Purity | ≥90%(GC) |
| Storage Temp | Store at 2-8°C |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
- Subclass Fatty acid esters
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Class
Fatty Acyls
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Superclass
Lipids and lipid-like molecules
| 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 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 |
| Description | 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 |
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Names and Identifiers
| Pubchem Sid | 504763730 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504763730 |
| IUPAC Name | methyl (Z)-docos-13-enoate |
| INCHI | InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3/b11-10- |
| InChIKey | ZYNDJIBBPLNPOW-KHPPLWFESA-N |
| Smiles | CCCCCCCCC=CCCCCCCCCCCCC(=O)OC |
| Isomeric SMILES | CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC |
| WGK Germany | 1 |
| Molecular Weight | 352.59 |
| Beilstein | 1728408 |
| Reaxy-Rn | 1728407 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1728407&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2002156 |
Certificate of Analysis | Jun 12, 2025 | M122094 |
| K2327117 |
Certificate of Analysis | Nov 30, 2023 | M122094 |
| L2106384 |
Certificate of Analysis | Sep 19, 2023 | M122094 |
| K1823150 |
Certificate of Analysis | Jul 13, 2022 | M122094 |
Chemical and Physical Properties
| Sensitivity | Light Sensitive,Air Sensitive |
|---|---|
| Refractive Index | 1.456 |
| Flash Point(°F) | 33 °C |
| Flash Point(°C) | 33°C |
| Boil Point(°C) | 222°C/5mmHg |
| Molecular Weight | 352.600 g/mol |
| XLogP3 | 9.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 20 |
| Exact Mass | 352.334 Da |
| Monoisotopic Mass | 352.334 Da |
| Topological Polar Surface Area | 26.300 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 296.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
Citations of This Product
| 1. Jie Cheng, Yuling Li, Yunjun Wang, Jing Zhang, Tuanqi Sun, Li Zhang, Yinlong Guo. (2022) Quaterization Derivatization with Bis(Pyridine) Iodine Tetrafluoroboride: High-Sensitivity Mass Spectrometric Analysis of Unsaturated Fatty Acids in Human Thyroid Tissues. ANALYTICAL CHEMISTRY, 94 (32): (11185–11191). |
| 2. Rongwei Yan, Leilei Zhao, Yanfei Li, Yong Zou, Xinjun Xu. (2017) Simultaneous determination of tricaprylin, DPPG and DEPC in propofol liposomes by a methyl esterification method and GC-FID analysis. Analytical Methods, 9 (35): (5101-5107). |
| 3. He Li-Han, Mu Bo-Zhong, Yang Shi-Zhong. (2024) Synthesis of novel bio-based polyamide surfactants and their emulsifying property. Biomass Conversion and Biorefinery, (1-12). |
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