Methyl cis-11-eicosenoate - analytical standard , CAS No.2390-09-2

CAS: 2390-09-2 Cat. No.: M140071 Molecular Weight: 324.54 Beilstein Registry Number: 1727804 EC Number: 219-226-8

GRADE & PURITY Analytical standard

Synonyms

methyl (Z)-icos-11-enoate | cis-11-Eicosenoic acid methyl ester | MFCD00010458 | (Z)-Methyl icos-11-enoate | cis-11-Eicosenoic acid-methyl ester | cis-Methyl 11-eicosenoate | 2390-09-2

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Methyl cis-11-eicosenoate is a fatty acid methyl ester.

Specifications

Synonyms

methyl (Z)-icos-11-enoate | cis-11-Eicosenoic acid methyl ester | MFCD00010458 | (Z)-Methyl icos-11-enoate | cis-11-Eicosenoic acid-methyl ester | cis-Methyl 11-eicosenoate | 2390-09-2

Specifications & Purity

analytical standard

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Analytical standard

Names and Identifiers

• Canonical Smiles: CCCCCCCCC=CCCCCCCCCCC(=O)OC
• IUPAC Name: methyl (Z)-icos-11-enoate
• InChIKey: RBKMRGOHCLRTLZ-KHPPLWFESA-N
• INCHI: 1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3/b11-10-
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCCCC(=O)OC
• WGK Germany: 1
• Molecular Weight: 324.54
• Beilstein: 1727804
• Reaxy-Rn: 9579497
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9579497&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acid esters

• 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: light sensitive
• Flash Point(°F): >235.4 °F
• Flash Point(°C): >113 °C
• Molecular Weight: 324.500 g/mol
• XLogP3: 8.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 18
• Exact Mass: 324.303 Da
• Monoisotopic Mass: 324.303 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 271.000
• 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

References

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. Zhuoya Zhang, Zhaoguo Tong, Yuanyuan Shao, Guangcan Su, Kaikai Li, Chunmei Li.  (2024)  Comparing and Evaluating the Oil Composition of Olive Oil of 85 Olive Varieties in the Liangshan Region, China.  Agronomy-Basel,  14  (2): (304).  [PMID:] [10.3390/agronomy14020304]