Itaconic Anhydride

Product Information

Molecular Formula:
C5H4O3
Molecular Weight:
112.08
Description
Applications: Itaconic anhydride, 97% is a useful research chemical.
Synonyms
3-methyleneoxolane-2,5-dione; 3-methylideneoxolane-2,5-dione
IUPAC Name
3-methylideneoxolane-2,5-dione
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.
Refractive Index
1.5130 (estimate)
LogP
0.01610

Safety Information

Hazards
H315 - H319 - H335
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

Computed Properties

XLogP3
0.2
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
112.016043985 g/mol
Monoisotopic Mass
112.016043985 g/mol
Topological Polar Surface Area
43.4Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
169
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
US-2015376449-A1 Barrier film, methods of manufacture thereof and articles comprising the same 2014-06-27
WO-2015200198-A1 Barrier film, methods of manufacture thereof and articles comprising the same 2014-06-27
WO-2015200199-A1 Barrier film, methods of manufacture thereof and articles comprising the same 2014-06-27
WO-2015200591-A1 Polyurethanes, articles comprising the same and methods of manufacture thereof 2014-06-25
EP-2960246-A1 Di(alkyl-glycoside) sulfomethylsuccinate surfactants 2014-06-23
WO-2015197377-A1 Alkylglycoside sulfomethylsuccinate surfactants 2014-06-23
WO-2015193493-A1 Resin, composition and use 2014-06-20
WO-2015192175-A1 Polymer hydrogel 2014-06-18
US-2015361297-A1 Powder coating material set, and powder coating material composition 2014-06-12
WO-2015191280-A2 Powder coatings 2014-06-12

Literatures

PMID Publication Date Title Journal
22985027 2012-10-25 Guaianolide sesquiterpene lactones, a source to discover agents that selectively inhibit acute myelogenous leukemia stem and progenitor cells Journal of medicinal chemistry
22158441 2011-12-13 Tandem synthesis of alternating polyesters from renewable resources Nature communications
19763858 2010-08-01 One-pot synthesis of functionalized 4-oxo-2-thioxo-1,3-thiazinanes from primary amines, CS(2), and itaconic anhydride Molecular diversity
18328582 2008-04-01 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 2006-01-01 Synthesis and anti-viral activity of a series of sesquiterpene lactones and analogues in the subgenomic HCV replicon system Bioorganic & medicinal chemistry
12372877 2002-10-01 A practical procedure for the synthesis of esonarimod, (R,S)-2-acetylthiomethyl-4-(4-methylphenyl)-4-oxobutanoic acid, an antirheumatic agent (part 1) Chemical & pharmaceutical bulletin
11755366 2002-01-21 Cyclic acid anhydrides as a new class of potent, selective and non-peptidic inhibitors of geranylgeranyl transferase Bioorganic & medicinal chemistry letters
11745133 2001-12-05 Type-specific separation of animal cells in aqueous two-phase systems using antibody conjugates with temperature-sensitive polymers Biotechnology and bioengineering
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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