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Methyl nonadecanoate - analytical standard, high purity , CAS No.1731-94-8
Basic Description
Synonyms
EINECS 217-056-9 | DTXSID40169524 | N0460 | A25CCD7A-EA11-4124-B88C-A168A5582F47 | BAA73194 | Methyl nonadecanoate, puriss., >=98.5% (GC) | Nonadecanoic acid methyl ester | MFCD00009011 | 67FQ8VV2L3 | s5833 | SCHEMBL109331 | UNII-67FQ8VV2L3 | CHEBI:87758
Specifications & Purity
analytical standard
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
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 nonadecanoate
INCHI
InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3
InChIKey
BDXAHSJUDUZLDU-UHFFFAOYSA-N
Smiles
CCCCCCCCCCCCCCCCCCC(=O)OC
Isomeric SMILES
CCCCCCCCCCCCCCCCCCC(=O)OC
WGK Germany
3
Molecular Weight
312.53
Beilstein
1788184
Reaxy-Rn
1788184
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1788184&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Freezing Point(°C)
39 °C
Flash Point(°F)
>235.4 °F
Flash Point(°C)
113℃
Melt Point(°C)
37-40°C
Molecular Weight
312.500 g/mol
XLogP3
9.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
18
Exact Mass
312.303 Da
Monoisotopic Mass
312.303 Da
Topological Polar Surface Area
26.300 Ų
Heavy Atom Count
22
Formal Charge
0
Complexity
226.000
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
Citations of This Product
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7 Citations
H2322381