Methyl Arachidate - ≥98%(GC) , CAS No.1120-28-1

CAS: 1120-28-1 Cat. No.: M101216 Molecular Weight: 326.56 Beilstein Registry Number: 1791385 EC Number: 214-304-8

GRADE & PURITY ≥98%(GC)

Synonyms

4B020CF8-8307-42EE-AE7F-95190AB03DFA | Eicosanoic acid methyl ester (FAME MIX) | Methyl icosanoate # | Methyl arachidate | Arachidic acid methyl ester | Q63398929 | UNII-0ZH75194U0 | Methyl icosanoate | EINECS 214-304-8 | A0900 | Eicosanoic acid-methyl es

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

4B020CF8-8307-42EE-AE7F-95190AB03DFA | Eicosanoic acid methyl ester (FAME MIX) | Methyl icosanoate # | Methyl arachidate | Arachidic acid methyl ester | Q63398929 | UNII-0ZH75194U0 | Methyl icosanoate | EINECS 214-304-8 | A0900 | Eicosanoic acid-methyl es

Specifications & Purity

≥98%(GC)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504752539
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752539
• Canonical Smiles: 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
• Isomeric SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OC
• WGK Germany: 1
• Molecular Weight: 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=

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

• Refractive Index: 1.4317
• Flash Point(°C): >113°C
• Boil Point(°C): 215-216 °C/10 mmHg (lit.)
• Melt Point(°C): 45-48°C
• Molecular Weight: 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

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. 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]