Cis-11-eicosenoato de metilo - ≥98% , CAS No.2390-09-2

CAS: 2390-09-2 Cat. No.: M140072 Peso molecular: 324.54 Beilstein Registry Number: 1727804 Número EC: 219-226-8

GRADE & PURITY ≥98%

Synonyms

BBL103450 | methyl (Z)-icos-11-enoate | RBKMRGOHCLRTLZ-KHPPLWFESA-N | cis-11-Eicosenoic acid methyl ester | 11-Eicosenoic acid, methyl ester, (Z)- | HY-W011267 | AS-47021 | Methyl cis-11-eicosenoate, >=98% | BP-29885 | methyl (11Z)-icos-11-enoate | MFCD00

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Application

Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Descripción general

El cis-11-eicosenoato de metilo se ha utilizado como patrón para identificar los picos de ácidos grasos

Specifications

Sinónimos

BBL103450 | methyl (Z)-icos-11-enoate | RBKMRGOHCLRTLZ-KHPPLWFESA-N | cis-11-Eicosenoic acid methyl ester | 11-Eicosenoic acid, methyl ester, (Z)- | HY-W011267 | AS-47021 | Methyl cis-11-eicosenoate, >=98% | BP-29885 | methyl (11Z)-icos-11-enoate | MFCD00

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504763841
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763841
• Sonrisas canónicas: 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-
• Isómeros SMILES: CCCCCCCC/C=C\CCCCCCCCCC(=O)OC
• WGK Alemania: 1
• Peso molecular: 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
    • Clase Fatty Acyls
      • Subclass Fatty acid esters

• 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

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

Propiedades químicas y físicas

• Solubilidad: Soluble in chloroform, hexane, ethyl ether
• Punto de inflamación (°F): >235.4 °F
• Punto de inflamación (°C): >113 °C
• Peso molecular: 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

Referencias

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]