diisooctyl sebacate

Product Information

Molecular Formula:
C26H50O4
Molecular Weight:
426.67
Description
Bis(2-ethylhexyl)sebacate has been used as a platicizer for styrene resins, PVC, nitrocelluloses, and other plastics. Bis(2-ethylhexyl)sebacate has been used in the construction of ion-selective polymeric membrane electrodes.
Synonyms
bis(2-ethylhexyl) decanedioate
IUPAC Name
bis(2-ethylhexyl) decanedioate
Canonical SMILES
CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC
InChI
InChI=1S/C26H50O4/c1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2/h23-24H,5-22H2,1-4H3
InChI Key
VJHINFRRDQUWOJ-UHFFFAOYSA-N
Boiling Point
212 °C (1 mmHg)
Melting Point
-55 °C
Flash Point
>230 °F
Purity
> 96.0 % (GC)
Density
0.914 g/cm3
Solubility
water, 5.149e-006 mg/L @ 25 °C (est)
Appearance
Clear pale yellow liquid with a mild odor. insoluble in water.
Application
DOS can be used as an aerosol material that can be used to investigate the filtration efficiency of polyvinylidene/silicon oxide (PVDF/SiO2) based fibrous membranes. It may be blended with PVC to form membranes that can be deposited on silver (Ag) based composites which can be used in the fabrication of ion-selective electrodes for chemical analysis. DOS may also be used in combination with PVC, chloride ionophore III, and tridodecylmethylammonium chloride for the development of chloride sensing films.
Storage
2-8 °C
Grade
technical grade
Refractive Index
n20/D 1.450 (lit.)
Stability
Stable. Combustible. Incompatible with strong oxidizing agents.
LogP
7.62640
Vapor Pressure
Vapor pressure, Pa at 37 °C: 0.000024
Decomposition
When heated to decomposition it emits acrid and irritating fumes
Odor
MILD ODOR

Safety Information

Hazards
H413:
May cause long-lasting harmful effects to aquatic life.
Precautionary Statement
P273:
Avoid release to the environment.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3
9
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
23
Exact Mass
426.37091007 g/mol
Monoisotopic Mass
426.37091007 g/mol
Topological Polar Surface Area
52.6Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
370
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
2
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
JP-2022036238-A Floor lumber 2022-01-12
CN-113999606-A Polyurethane waterproof coating and preparation method thereof 2021-12-30
CN-114133905-A Organic silicon ceramic tile adhesive and preparation method thereof 2021-12-28
CN-114133589-A Novel butyronitrile butadiene styrene composite latex dipping slurry and preparation method thereof 2021-12-27
JP-2022036169-A Paint materials consisting of cosmetics, diluents for paint materials, paints and paint sets 2021-12-27
CN-114133911-A Solvent-free bi-component polyurethane adhesive and application thereof 2021-12-23
CN-114105718-A Coated fine-grained ammonium perchlorate and preparation method and application thereof 2021-12-22
CN-114149625-A Low-temperature-resistant plate for cold chain and preparation method thereof 2021-12-22
CN-114106448-A Soft low-smoke halogen-free sheath material for wind power cable 2021-12-21
CN-114163700-A Radiation-resistant nitrile rubber material for sealing nuclear power plant and preparation method thereof 2021-12-18

Literatures

PMID Publication Date Title Journal
22939208 2012-10-05 Lipophilicity screening of novel drug-like compounds and comparison to clog P Journal of chromatography. A
22752099 2012-07-01 Comparability of portable nanoparticle exposure monitors The Annals of occupational hygiene
22158973 2012-01-28 The statistical evolution of multiple generations of oxidation products in the photochemical aging of chemically reduced organic aerosol Physical chemistry chemical physics : PCCP
22524020 2012-01-01 Quartz crystal microbalance sensor using ionophore for ammonium ion detection Journal of nanoscience and nanotechnology
22862434 2012-01-01 Variation in penetration of submicrometric particles through electrostatic filtering facepieces during exposure to paraffin oil aerosol Journal of occupational and environmental hygiene
21704764 2011-08-05 Spectrophotometric determination of various polyanions with polymeric film optodes using microtiter plate reader Analytica chimica acta
21509392 2011-06-07 Potentially important nighttime heterogeneous chemistry: NO3 with aldehydes and N2O5 with alcohols Physical chemistry chemical physics : PCCP
21237310 2011-02-07 Development of polymer-membrane based electrodes for suramin Analytica chimica acta
22164107 2011-01-01 Use of a new ziprasidone-selective electrode in mixed solvents and its application in the analysis of pharmaceuticals and biological fluids Sensors (Basel, Switzerland)
20672336 2010-11-01 Corrosion inhibition with different protective layers in tinplate cans for food preservation Journal of the science of food and agriculture
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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