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dodec-2-enoic acid - 98%, high purity , CAS No.4412-16-2
Basic Description
Synonyms
Dodec-2-enoic acid | (E)-dodec-2-enoic acid | trans-2-Dodecenoic acid | 2-Dodecenoic acid | 32466-54-9 | 4412-16-2 | (2E)-dodec-2-enoic acid | (2E)-2-Dodecenoic acid | trans-dodec-2-enoic acid | 2E-Lauroleic acid | 2E-Dodecenoic acid | 1289-45-8 | C12:1n-10 | (E)-2-dodecenoic acid
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C,Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
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
Medium-chain fatty acids
Alternative Parents
Unsaturated fatty acids Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Medium-chain fatty acid - Unsaturated fatty acid - Straight chain fatty acid - Monocarboxylic 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 medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
External Descriptors
Unsaturated fatty 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)
Associated Targets(non-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
(E)-dodec-2-enoic acid
INCHI
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-11H,2-9H2,1H3,(H,13,14)/b11-10+
InChIKey
PAWGRNGPMLVJQH-ZHACJKMWSA-N
Smiles
CCCCCCCCCC=CC(=O)O
Isomeric SMILES
CCCCCCCCC/C=C/C(=O)O
Molecular Weight
198.302
Reaxy-Rn
29734766
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29734766&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°C)
216.6℃
Boil Point(°C)
311.7℃at 760 mmHg
Melt Point(°C)
17.1℃
Molecular Weight
198.300 g/mol
XLogP3
4.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
9
Exact Mass
198.162 Da
Monoisotopic Mass
198.162 Da
Topological Polar Surface Area
37.300 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
162.000
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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