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Hexadecanedioic Acid - ≥97%, high purity , CAS No.505-54-4
Basic Description
Synonyms
HY-W018161 | RF8 | SCHEMBL36069 | Thapsate | AS-11659 | Hexadecane-1,16-dioic acid | HEXADECANEDIOICACID | Thapsic acid | FT-0601008 | C19615 | CHEBI:73722 | MEGxp0_000578 | SY047592 | LMFA01170022 | a,w-Tetradecanedicarboxylic acid | NSC 15164 | H0293 |
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Product Description
It is used in long chain polyamides, lubricants, pharmaceuticals, spices, etc.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty acids and conjugates
Intermediate Tree Nodes
Not available
Direct Parent
Long-chain fatty acids
Alternative Parents
Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Long-chain fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - 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 long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
External Descriptors
Dicarboxylic acids
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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
hexadecanedioic acid
INCHI
InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)
InChIKey
QQHJDPROMQRDLA-UHFFFAOYSA-N
Smiles
C(CCCCCCCC(=O)O)CCCCCCC(=O)O
Isomeric SMILES
C(CCCCCCCC(=O)O)CCCCCCC(=O)O
WGK Germany
3
Molecular Weight
286.41
Beilstein
2733
Reaxy-Rn
1792831
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1792831&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solubility in hot Methanol almost transparency
Melt Point(°C)
124°C-128°C
Molecular Weight
286.410 g/mol
XLogP3
5.400
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
15
Exact Mass
286.214 Da
Monoisotopic Mass
286.214 Da
Topological Polar Surface Area
74.600 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
225.000
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
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