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trans-9-Octadecenoic methyl ester - analytical standard, high purity , CAS No.2462-84-2
Discover trans-9-Octadecenoic methyl ester by Aladdin Scientific in analytical standard for only $136.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
METHYL ELAIDATE | 1937-62-8 | Elaidic acid methyl ester | methyl octadec-9-enoate | 2462-84-2 | Methyl trans-9-octadecenoate | (E)-Methyl octadec-9-enoate | 9-Octadecenoic acid, methyl ester | 9-Octadecenoic acid, methyl ester, (9E)- | Methyl 9-octadecenoate | methyl (E)-oct
Specifications & Purity
analytical standard
Shipped In
Normal
Grade
analytical standard
Taxonomic Classification
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.
Names and Identifiers
IUPAC Name
methyl (E)-octadec-9-enoate
INCHI
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10+
InChIKey
QYDYPVFESGNLHU-ZHACJKMWSA-N
Smiles
CCCCCCCCC=CCCCCCCCC(=O)OC
Isomeric SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OC
Alternate CAS
1937-62-8
UN Number
1206
Molecular Weight
296.49
Reaxy-Rn
1727036
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1727036&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
296.500 g/mol
XLogP3
7.600
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
16
Exact Mass
296.272 Da
Monoisotopic Mass
296.272 Da
Topological Polar Surface Area
26.300 Ų
Heavy Atom Count
21
Formal Charge
0
Complexity
246.000
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
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C1908145