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Methyl 10-undecenoate - analytical standard, high purity , CAS No.111-81-9
Basic Description
Synonyms
Methyl undec-10-enoate | 111-81-9 | METHYL 10-UNDECENOATE | Methyl undecenate | 10-Undecenoic acid, methyl ester | Methyl undecenoate | Methyl 10-undecenate | 10-Undecenoic acid methyl ester | Undecenoic acid, methyl ester | Undecylenic acid methyl ester | Undecylenic acid,
Specifications & Purity
analytical standard
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
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
fatty acid methyl ester
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
methyl undec-10-enoate
INCHI
InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3
InChIKey
KISVAASFGZJBCY-UHFFFAOYSA-N
Smiles
COC(=O)CCCCCCCCC=C
Isomeric SMILES
COC(=O)CCCCCCCCC=C
WGK Germany
3
Molecular Weight
198.3
Reaxy-Rn
1765394
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1765394&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Refractive Index
1.437
Flash Point(°F)
>100 °C
Flash Point(°C)
>100°C
Boil Point(°C)
245°C
Molecular Weight
198.300 g/mol
XLogP3
4.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
10
Exact Mass
198.162 Da
Monoisotopic Mass
198.162 Da
Topological Polar Surface Area
26.300 Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
152.000
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
1.
Jingjing Fan, Wei Liu, Lieshun Cai, Taoshan Jiang, Zhongkai Wang.
(2023)
Castor oil-based multi-functional monomers and their application in polyamide design. INDUSTRIAL CROPS AND PRODUCTS,
203
(117188).
2.
Haonan Li, Xiankun Wu, Min Li, Peng Chen, Jiale Zhang, Zhongkai Wang, Zhong Wang.
(2023)
Dynamic sustainable polyamide elastomer toward ultratough and fully recyclable self-healing ionic conductors. CHEMICAL ENGINEERING JOURNAL,
470
(144263).
3.
Xiankun Wu, Haonan Li, Peng Chen, Jiale Zhang, Ming Li, Shujun Zhao, Zhongkai Wang, Zhong Wang.
(2023)
Natural-silk-inspired design provides ultra-tough biobased structural adhesives with supercold tolerance. Journal of Materials Chemistry A,
11
(12):
(6286-6298).
4.
Li Wang, Haihang Luo, Qiang Gao, Le Jiang, Zhenya Wang, Haojun Fan, Yi Chen, Jun Yan, Jun Xiang.
(2023)
The missing piece: Effect of dangling chains on the synthesis and properties of bio-based waterborne polyurethane. JOURNAL OF POLYMER SCIENCE,
61
(9):
(748-760).
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4 Citations