IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data
Identification
Product Name4-Vinyl-1,3-dioxolan-2-one IUPAC Name4-ethenyl-1,3-dioxolan-2-oneMolecular StructureCAS Registry Number 4427-96-7MDL NumberMFCD00143315Synonyms4427-96-7Vinylethylene Carbonate1,3-Dioxolan-2-one, 4-ethenyl-DTXSID60883553DTXCID9010230744-Vinyl-1,3-dioxolan-2-one4-ethenyl-1,3-dioxolan-2-oneMFCD00143315SCHEMBL480132-Oxo-4-vinyl-1,3-dioxolane4-vinyl-dioxolan-2-one4-vinyl-1,3-dioxaolane-2-one4-Vinyl-1,3-dioxolan-2-one, stabilized with 0.1% hydroquinoneAKOS0158911174-Vinyl-1,3-dioxolan-2-one, 99%CS-W011250AS-11362DB-051205EN300-7374804Molecular FormulaC5H6O3Molecular Weight114.1InChIInChI=1S/C5H6O3/c1-2-4-3-7-5(6)8-4/h2,4H,1,3H2InChI KeyBJWMSGRKJIOCNR-UHFFFAOYSA-NSMILESC=CC1COC(=O)O1
Patent InformationPatent IDTitlePublication DateCN116462654Preparation method of cyclic ethylene carbonate compound2023CN112979606Method for preparing cyclic carbonate by immobilizing CO2 under catalysis of organic boric acid2021US2020/28214ELECTROLYTE SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY AND MODULE2020CN104447495Chiral β - substituted - α, β - unsaturated amino alcohol compound preparation method2017CN105801519DIAZABICYCLOOCTANE DERIVATIVES COMPRISING A QUATERNERY AMMONIUM GROUP FOR USE AS ANTIBACTERIAL AGENTS2016WO2013/169362METHODS AND SYSTEMS FOR THE FORMATION OF CYCLIC CARBONATES2013 US2004/44229Process for alpha,beta-dihydroxyalkenes and derivatives2004
Physical Data
AppearanceColorless and transparent liquid
Boiling Point, °CPressure (Boiling Point), Torr77 - 88121 - 121.59.975843 - 450.1
Density, g·cm-3Reference Temperature, °CMeasurement Temperature, °C1.1827425
Spectra
Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHzChemical shifts, Spectrum1Hchloroform-d1400Chemical shifts, Spectrum13Cchloroform-d1100Chemical shifts, Spectrum1Hdimethylsulfoxide-d6Spectrum1HChemical shifts, Spectrum1Hchloroform-d1Chemical shifts, Spectrum1Hchloroform-d1Chemical shifts, Spectrum13Cchloroform-d1
Description (IR Spectroscopy)Solvent (IR Spectroscopy)Bands, SpectrumBandspotassium bromideSpectrumBands, SpectrumchloroformBandsneat (no solvent)Bandsneat (no solvent)Bands, Spectrum
Route of Synthesis (ROS)
Route of Synthesis (ROS) of VEC CAS 4427-96-7
ConditionsYieldWith cobalt-impregnated 2D-nanofibrous covalent organic framework In neat (no solvent) at 120℃; under 750.075 Torr; for 5h; Catalytic behavior;99%With tetrabutylammomium bromide; Dy(3+)2C3H7NOC27H13FNO8(3-)*H2O at 80℃; under 760.051 Torr; Catalytic behavior;99%With tetrabutylammomium bromide; {(Me2NH2)·5DMF·H2O}n In neat (no solvent) at 60℃; under 760.051 Torr; for 7h; Catalytic behavior;98%
Safety and Hazards
Pictogram(s)SignalDangerGHS Hazard StatementsH301 (80.3%): Toxic if swallowed H317 (15.2%): May cause an allergic skin reaction H373 (16.7%): May causes damage to organs through prolonged or repeated exposure Precautionary Statement CodesP260, P261, P264, P270, P272, P280, P301+P316, P302+P352, P319, P321, P330, P333+P317, P362+P364, P405, and P501
Other Data
TransportationUnder the room temperature and away from lightHS CodeStorageUnder the room temperature and away from lightShelf Life1 yearMarket Price
DruglikenessLipinski rules componentMolecular Weight114.101logP0.92HBA3HBD0Matching Lipinski Rules4Veber rules componentPolar Surface Area (PSA)35.53Rotatable Bond (RotB)1Matching Veber Rules2
Use Pattern4-Vinyl-1,3-dioxolan-2-one CAS#: 4427-96-7 is primarily used as an electrolyte additive in lithium-ion batteries to enhance SEI formation and improve battery performance. https://www.chemwhat.com/4-vinyl-13-dioxolan-2-one-cas-4427-96-7/
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