Itaconic Anhydride - CAS 2170-03-8

Catalog:	BB017095
Product Name:	Itaconic Anhydride
CAS:	2170-03-8
Synonyms:	3-methyleneoxolane-2,5-dione; 3-methylideneoxolane-2,5-dione

Technical Data

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Computed Properties

IUPAC Name:	3-methylideneoxolane-2,5-dione
Description:	Applications: Itaconic anhydride, 97% is a useful research chemical.
Molecular Weight:	112.08
Molecular Formula:	C5H4O3
Canonical SMILES:	C=C1CC(=O)OC1=O
InChI:	InChI=1S/C5H4O3/c1-3-2-4(6)8-5(3)7/h1-2H2
InChI Key:	OFNISBHGPNMTMS-UHFFFAOYSA-N
Boiling Point:	114-115 °C / 12 mmHg (lit.)
Melting Point:	66-68 °C (lit.)
Flash Point:	114-115°C/12mm
Purity:	97 %
Density:	1.2600 g/cm³
Appearance:	White to cream crystalline powder
Storage:	Store below +30 °C.
MDL:	MFCD00005530
LogP:	0.01610
Refractive Index:	1.5130 (estimate)

Publication Number	Title	Priority Date
US-2015376449-A1	Barrier film, methods of manufacture thereof and articles comprising the same	20140627
WO-2015200198-A1	Barrier film, methods of manufacture thereof and articles comprising the same	20140627
WO-2015200199-A1	Barrier film, methods of manufacture thereof and articles comprising the same	20140627
WO-2015200591-A1	Polyurethanes, articles comprising the same and methods of manufacture thereof	20140625
EP-2960246-A1	Di(alkyl-glycoside) sulfomethylsuccinate surfactants	20140623

PMID	Publication Date	Title	Journal
22985027	20121025	Guaianolide sesquiterpene lactones, a source to discover agents that selectively inhibit acute myelogenous leukemia stem and progenitor cells	Journal of medicinal chemistry
22158441	20111213	Tandem synthesis of alternating polyesters from renewable resources	Nature communications
19763858	20100801	One-pot synthesis of functionalized 4-oxo-2-thioxo-1,3-thiazinanes from primary amines, CS(2), and itaconic anhydride	Molecular diversity
18328582	20080401	A simple whole cell based high throughput screening protocol using Mycobacterium bovis BCG for inhibitors against dormant and active tubercle bacilli	Journal of microbiological methods
16140536	20060101	Synthesis and anti-viral activity of a series of sesquiterpene lactones and analogues in the subgenomic HCV replicon system	Bioorganic & medicinal chemistry

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GHS Hazard Statement:	H302 (85.11%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.016043985
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	112.016043985
Rotatable Bond Count:	0
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2