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Bis(2-ethylhexyl)adipate - analytical standard, high purity , CAS No.103-23-1
Basic Description
Synonyms
BIS(2-ETHYLHEXYL) ADIPATE | 103-23-1 | Di(2-ethylhexyl) adipate | Diethylhexyl adipate | DEHA | Di(2-ethylhexyl)adipate | Bis(2-ethylhexyl)hexanedioate | Plastomoll DOA | BEHA | Vestinol OA | Bisoflex DOA | Crodamol DOA | Effomoll DOA | Kodaflex DOA | Monoplex DOA | Truflex DOA | Adipol
Specifications & Purity
analytical standard
Shipped In
Normal
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 esters
Alternative Parents
Dicarboxylic acids and derivatives Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Fatty acid ester - Dicarboxylic acid or derivatives - Carboxylic acid ester - 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 esters. These are carboxylic ester derivatives of a fatty acid.
External Descriptors
Phthalates
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
bis(2-ethylhexyl) hexanedioate
INCHI
InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3
InChIKey
SAOKZLXYCUGLFA-UHFFFAOYSA-N
Smiles
CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
Isomeric SMILES
CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
WGK Germany
1
RTECS
AU9700000
Molecular Weight
370.57
Beilstein
1803774
Reaxy-Rn
1803774
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1803774&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Slightly soluble in water, soluble in most organic solvents.
Refractive Index
1.4472
Flash Point(°F)
384.8℉
Flash Point(°C)
196℃
Boil Point(°C)
175°C
Melt Point(°C)
-67°C
Molecular Weight
370.600 g/mol
XLogP3
6.800
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
19
Exact Mass
370.308 Da
Monoisotopic Mass
370.308 Da
Topological Polar Surface Area
52.600 Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
320.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
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.
Hongsheng Yu, Xiaodong Yu, Hongwei Gao, Luigi T. DeLuca, Wei Zhang, Ruiqi Shen.
(2023)
Combustion Characteristics of HTPB-Based Hybrid Rocket Fuels: Using Nickel Oxide as the Polymer Matrix Pyrolysis Catalyst. Aerospace,
10
(9):
(800).
2.
Suhang Chen, Yue Tang, Wei Zhang, Ruiqi Shen, Hongsheng Yu, Yinghua Ye, Luigi T. DeLuca.
(2019)
Innovative Methods to Enhance the Combustion Properties of Solid Fuels for Hybrid Rocket Propulsion. Aerospace,
6
(4):
(47).
3.
Suhang Chen, Yue Tang, Hongsheng Yu, Xinyan Guan, Luigi T. DeLuca, Wei Zhang, Ruiqi Shen, Yinghua Ye.
(2019)
Combustion enhancement of hydroxyl-terminated polybutadiene by doping multiwall carbon nanotubes. CARBON,
144
(472).
4.
Yuanji Gao, Yijun Liu, Xingyu Li, Kaineng Huang.
(2024)
Arc plasma for high-efficiency ionization and scavenging of plasticizers in wrap films. JOURNAL OF CHROMATOGRAPHY A,
1716
(464663).
5.
Yanan Sun, Yuqi Zhu, Shengjiang Zhang, Suhang Chen, Fengqi Zhao, Kangzhen Xu.
(2024)
Construction of nanoflowers combustion catalyst NiO@g-C3N4 for improving thermal decomposition performance of AP. CERAMICS INTERNATIONAL,
50
(43617).
6.
Wei Le, Wanjun Zhao, Yanli Zhu, Ziting Wei, Zhigang Liu, Dazhi Liu, Qingjie Jiao.
(2024)
Stable aluminum-lithium alloy fuels for solid propellants by facile surface modifying. CHEMICAL ENGINEERING JOURNAL,
497
(154451).
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6 Citations
G2121106