Ethylene carbonate - CAS 96-49-1

Technical Data

IUPAC Name:	1,3-dioxolan-2-one
Description:	Ethylene carbonate (CAS# 96-49-1) is a useful research chemical.
Molecular Weight:	88.06
Molecular Formula:	C3H4O3
Canonical SMILES:	C1COC(=O)O1
InChI:	InChI=1S/C3H4O3/c4-3-5-1-2-6-3/h1-2H2
InChI Key:	KMTRUDSVKNLOMY-UHFFFAOYSA-N
Boiling Point:	246.7 °C
Melting Point:	34-37 °C
Flash Point:	150°C
Purity:	99 %
Density:	1.321 g/cm³
Solubility:	11.36 M;Soluble in water, alcohol, ether, and benzene;Miscible (40%) with water, alcohol, ethyl acetate, benzene, and chloroform; soluble in ether, n-butanol, and carbon tetrachloride.;Insoluble in gasoline and turpentine oil.
Appearance:	Colourless crystals
Storage:	Store in a cool, dry place. Store in a tightly closed container.
Decomposition:	When heated to decomposition it emits acrid smoke and irritating fumes
MDL:	MFCD00005382
LogP:	0.15320
Refractive Index:	1.4148 (50°C)
Stability:	Stable. Incompatible with strong oxidizing agents, acids, bases, reducing agents.
Vapor Pressure:	0.02 mm Hg ( 36.4 °C)

GHS Hazard Statement:	H302 (55.68%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P314, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2016218392-A1	Organic electrolytic solution and lithium battery employing the organic electrolytic solution	20150123
US-2016185785-A1	Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors	20141230
WO-2015127192-A1	Catalysts and methods for ring opening metathesis polymerization	20140221
WO-2015107289-A1	Hydrocarbon-based polymers comprising an end group with a 2-oxo-1,3-dioxolane-4-yl ending, preparation thereof and use thereof	20140116
WO-2015107425-A2	Chiral design	20140116

PMID	Publication Date	Title	Journal
22766280	20121201	Polymeric material for anti-biofouling	Colloids and surfaces. B, Biointerfaces
22885926	20121005	Oxidation induced decomposition of ethylene carbonate from DFT calculations--importance of explicitly treating surrounding solvent	Physical chemistry chemical physics : PCCP
22831401	20120823	Evaluation of interactive effects on the ionic conduction properties of polymer gel electrolytes	The journal of physical chemistry. B
22779915	20120727	Phenguignardic acid and guignardic acid, phytotoxic secondary metabolites from Guignardia bidwellii	Journal of natural products
22706565	20120725	High performance silicon nanoparticle anode in fluoroethylene carbonate-based electrolyte for Li-ion batteries	Chemical communications (Cambridge, England)

Complexity:	60.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	88.016043985
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	88.016043985
Rotatable Bond Count:	0
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3