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Methyl Nervonate - analytical standard, ≥99%(GC), high purity , CAS No.2733-88-2
Basic Description
Specifications & Purity
analytical standard, ≥99%(GC)
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
analytical standard
Product Description
It can be used as a reference standard oil mixture for the determination of fatty acids and long chain alcohols of wax esters using GC/MS analysis.
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 (Z)-tetracos-15-enoate
INCHI
InChI=1S/C25H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h10-11H,3-9,12-24H2,1-2H3/b11-10-
InChIKey
AINIZSBLAFHZCP-KHPPLWFESA-N
Smiles
CCCCCCCCC=CCCCCCCCCCCCCCC(=O)OC
Isomeric SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC
WGK Germany
3
PubChem CID
5364841
Molecular Weight
380.65
Beilstein
1728860
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
380.600 g/mol
XLogP3
10.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
22
Exact Mass
380.365 Da
Monoisotopic Mass
380.365 Da
Topological Polar Surface Area
26.300 Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
322.000
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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