Dibutyl sebacate - CAS 109-43-3

Catalog:	BB002468
Product Name:	Dibutyl sebacate
CAS:	109-43-3
Synonyms:	Decanedioic acid, di-n-butyl ester; butyl sebacate; DBS; dibutyl 1,8-octanedicarboxylate; Morflex DBS; Decanedioic Acid 1,10-Dibutyl Ester; Decanedioic Acid Dibutyl Ester; Sebacic Acid Dibutyl Ester; Bis(n-butyl) Sebacate; Di-n-Butyl Sebacate; Ergoplast SDB; Kodaflex DBS; NSC 3893; Polycizer DBS; Reomol DBS; Sebacic Acid Di-n-butyl Ester; Staflex DBS; Uniflex DBS
Application:	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.

Technical Data

IUPAC Name:	dibutyl decanedioate
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.
Molecular Weight:	314.46
Molecular Formula:	C18H34O4
Canonical SMILES:	CCCCOC(=O)CCCCCCCCC(=O)OCCCC
InChI:	InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3
InChI Key:	PYGXAGIECVVIOZ-UHFFFAOYSA-N
Boiling Point:	351.3±10.0°C at 760 mmHg
Melting Point:	-10 °C
Flash Point:	352.4 °F
Purity:	≥90%
Density:	0.94 g/cm³
Solubility:	Soluble in Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Sparingly)
Appearance:	Colorless to almost colorless clear liquid
Storage:	Store at 2-8°C
Decomposition:	When heated to decomposition it emits acrid smoke and irritating fumes
MDL:	MFCD00027218
LogP:	4.79380
Quality Standard:	100
Refractive Index:	n20/D 1.441 (lit.)
Vapor Pressure:	4.69e-06 mmHg;4.69X10-6 mm Hg @ 25 °C

GHS Hazard Statement:	H315 (98.57%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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US-11014898-B1	Benzothiazepine compounds and their use as bile acid modulators	20201204
US-11033516-B1	Combination therapies with disulfiram	20200918
US-10980756-B1	Methods of treatment	20200316
US-10874687-B1	Highly active compounds against COVID-19	20200227
WO-2021123289-A1	Soluble rear layer for otf	20191220

PMID	Publication Date	Title	Journal
22224401	20120201	Preparation and characterization of imidacloprid lignin-polyethylene glycol matrices coated with ethylcellulose	Journal of agricultural and food chemistry
22320088	20111101	Microsized graphite sensors for potentiometric determination of cyclobenzaprine hydrochloride in pure powder, tablets, and plasma	Journal of AOAC International
22139757	20110901	Sebacic and succinic acid derived plasticised PVC for the inhibition of biofouling in its initial stages	Journal of applied biomaterials & biomechanics : JABB
21254067	20110701	Sustained-release and swelling characteristics of xanthan gum/ethylcellulose-based injection moulded matrix tablets: in vitro and in vivo evaluation	Journal of pharmaceutical sciences
22171316	20110701	Rabeprazole sodium delayed-release multiparticulates: Effect of enteric coating layers on product performance	Journal of advanced pharmaceutical technology & research

Complexity:	248
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	314.24570956
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	314.24570956
Rotatable Bond Count:	17
Topological Polar Surface Area:	52.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5.3