diisooctyl sebacate - CAS 122-62-3

Catalog:	BB005436
Product Name:	diisooctyl sebacate
CAS:	122-62-3
Synonyms:	bis(2-ethylhexyl) decanedioate
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.

Technical Data

IUPAC Name:	bis(2-ethylhexyl) decanedioate
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.
Molecular Weight:	426.67
Molecular Formula:	C26H50O4
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.
Storage:	2-8 °C
Decomposition:	When heated to decomposition it emits acrid and irritating fumes
MDL:	MFCD00009497
LogP:	7.62640
Quality Standard:	200
Refractive Index:	n20/D 1.450 (lit.)
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents.
Vapor Pressure:	Vapor pressure, Pa at 37 °C: 0.000024

Publication Number	Title	Priority Date
US-11007134-B1	Ceramide containing capsules, ceramide compositions, and cosmetic compositions thereof	20200331
US-2021189280-A1	Lubricant Composition Comprising an Antioxidant Composition	20191220
WO-2021124030-A1	Lubricating oil compositions comprising a polyalphaolefin	20191220
WO-2021127128-A1	Two part curable compositions	20191220
WO-2021127622-A1	Lubricant composition comprising an antioxidant composition	20191220

PMID	Publication Date	Title	Journal
22939208	20121005	Lipophilicity screening of novel drug-like compounds and comparison to clog P	Journal of chromatography. A
22676584	20120705	Burial effects of organic coatings on the heterogeneous reactivity of particle-borne benzo[a]pyrene (BaP) toward ozone	The journal of physical chemistry. A
22752099	20120701	Comparability of portable nanoparticle exposure monitors	The Annals of occupational hygiene
22158973	20120128	The statistical evolution of multiple generations of oxidation products in the photochemical aging of chemically reduced organic aerosol	Physical chemistry chemical physics : PCCP
22524020	20120101	Quartz crystal microbalance sensor using ionophore for ammonium ion detection	Journal of nanoscience and nanotechnology

Complexity:	370
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	426.37091007
Formal Charge:	0
Heavy Atom Count:	30
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	426.37091007
Rotatable Bond Count:	23
Topological Polar Surface Area:	52.6
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	9