diethyl hexanedioate
Product Information
Molecular Formula
C10H18O4
Molecular Weight
202.25
Description
DBS can be used as a plasticizer for the formation of ethylcellulose based coating membranes which can be potentially used in drug delivery systems. It may also be used as a plasticizer during the fabrication of electronic artificial tongue sensors for analyzing the intensity of olive oils.
Synonyms
1,6-Diethyl hexanedioate; Diethyl adipatate; Diethyl1,6-hexanedioate; Diethylester kyseliny adipove; diethylesterkyselinyadipove; Ethyl delta-carboethoxyvalerate; ethyldelta-carboethoxyvalerate; ETHYL ADIPATE
IUPAC Name
diethyl hexanedioate
SMILES
CCOC(=O)CCCCC(=O)OCC
InChI
InChI=1S/C10H18O4/c1-3-13-9(11)7-5-6-8-10(12)14-4-2/h3-8H2,1-2H3
InChI Key
VIZORQUEIQEFRT-UHFFFAOYSA-N
Boiling Point
251 °C
Melting Point
-20 °C
Flash Point
235.4 °F
Purity
>99.0%(GC)
Density
1.009
Solubility
0.02 M;Soluble in ethanol and ethyl ether;In water, 4230 mg/l @ 20 °C
Appearance
Colorless to Almost colorless clear liquid
Application
This product is suitable for scientific research.
Storage
Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances.
Grade
reagent grade
Refractive Index
n20/D 1.427 (lit.)
Stability
Stable under normal temperatures and pressures.
Vapor Pressure
0.06 mmHg;0.058 mm Hg @ 25 °C
Decomposition
When heated to decomposition it emits acrid smoke and irritating fumes.
Computed Properties
XLogP3
1.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
9
Exact Mass
202.12050905 g/mol
Monoisotopic Mass
202.12050905 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
157
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114188069-A | High-conductivity laser silver paste for touch screen and preparation method thereof | 2021-11-30 |
| CN-114086201-A | Electrochemical synthesis method of adipate | 2021-11-18 |
| CN-113845411-A | Method for preparing 1, 2-cyclohexanedione | 2021-10-28 |
| CN-113981735-A | Preparation method of environment-friendly wet strength agent | 2021-10-20 |
| AU-2021105364-A4 | Anti-oxidation soldering flux for welding metal materials | 2021-08-12 |
| CN-113582844-A | Method for removing monoester compound from sebacate compound | 2021-08-12 |
| CN-113549270-A | High-toughness weather-resistant efficient halogen-free flame-retardant material for cables | 2021-08-11 |
| CN-113494027-A | Preparation method of garment material with waterproof and flame-retardant effects | 2021-07-30 |
| CN-113488288-A | Active temperature control consolidation method for conductive silver paste | 2021-07-27 |
| CN-113671068-A | Method for analyzing environmental pollutant targeting exposure component in blood plasma and application thereof | 2021-07-27 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 20352652 | 2010-10-01 | Simultaneous determination of phthalates and adipates in human serum using gas chromatography-mass spectrometry with solid-phase extraction | Biomedical chromatography : BMC |
| 16497524 | 2006-11-01 | Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods | Journal of molecular graphics & modelling |
| 15366843 | 2004-09-22 | Degradation of malathion, in aqueous extracts of asparagus (Asparagus officinalis) | Journal of agricultural and food chemistry |
| 12476874 | 2002-11-01 | Effect of fatty acid diesters on permeation of anti-inflammatory drugs through rat skin | Drug development and industrial pharmacy |
