Vinyl acetate CAS#: 108-05-4; ChemWhat Code: 28034

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product NameVinyl acetate
IUPAC Nameethenyl acetate  
Molecular StructureVinyl-acetate-CAS-108-05-4
CAS Registry Number 108-05-4
EINECS Number203-545-4
MDL NumberMFCD00084457
Beilstein Registry Number4290704
SynonymsVINYL ACETATE
Ethenyl acetate
108-05-4
Acetoxyethylene
Acetic acid vinyl ester
Ethenyl ethanoate
Acetoxyethene
1-Acetoxyethylene
Vinyl acetate monomer
Vinyl ethanoate
Vinyl A monomer
Vinylacetat
Zeset T
Vinylacetaat
Acetic acid, ethenyl ester
Octan winylu
Acetate de vinyle
Vinyl acetate H.Q.
Ethanoic acid, ethenyl ester
Vinile (acetato di)
Vinyle (acetate de)
VyAc
Acetic acid, vinyl ester
Vinylester kyseliny octove
NSC 8404
Vinylazetat
CCRIS 1306
HSDB 190
EINECS 203-545-4
Essigsaeurevinylester
UNII-L9MK238N77
DTXSID3021431
CHEBI:46916
AI3-18437
L9MK238N77
NSC-8404
DTXCID201431
VAC
EC 203-545-4
VINYL ACETATE (IARC)
VINYL ACETATE [IARC]
PONAL
VINYL ACETATE HQ
RP 251 (ESTER)
VINYL ACETATE, STABILIZED
RP 251
203-545-4
VAM
vinyl acetate (acgih)
Acetic acid ethenyl ester
Vinylacetate
Acetic acid, ethylene ether
Everflex 81L
Vinnapas A 50
CH3CO2CH=CH2
Unocal 76 Res S-55
Vinyl ester of acetic acid
Unocal 76 Res 6206
Vinylacetaat [Dutch]
Vinylacetat [German]
Octan winylu [Polish]
Vinyl acetate, analytical standard
VyAr
Acetate de vinyle [French]
Vinyle (acetate de) [French]
Vinile (acetato di) [Italian]
Acetic Acid Vinyl Ester Monomer
Vinylester kyseliny octove [Czech]
UN1301
Vinyl Acetate(Stabilized with 8-12 ppm Hydroquinone)
Vinile
Vinyle
Vinile(acetato di)
Vinylacetat(german)
Vinyle(acetate de)
Vinyl acetate, CP
MFCD00008713
Ethenyl acetate, 9CI
Vinyl acetate, inhibited
Plyamul 40305-00
VINYL ACETATE [MI]
VINYL ACETATE [HSDB]
UN 1301 (Salt/Mix)
WLN: 1VO1U1
CHEMBL1470323
NSC8404
PHA76598
Tox21_200817
BBL036266
STL264216
AKOS009120081
NCGC00091098-01
NCGC00091098-02
NCGC00258371-01
CAS-108-05-4
COPOVIDONE IMPURITY C [EP IMPURITY]
Vinyl Acetate 2000 microg/mL in Methanol
Vinyl Acetate Monomer (stabilized with HQ)
A0045
NS00008176
EN300-27348
C19309
A801803
Q377339
F8880-1173
InChI=1/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H
Vinyl acetate, inhibited [UN1301] [Flammable liquid]
Vinyl Acetate contains 3-20 ppm hydroquinone as inhibitor
Vinyl acetate, European Pharmacopoeia (EP) Reference Standard
Vinyl acetate, contains 3-20 ppm hydroquinone as inhibitor, >=99%
93196-02-2
Molecular FormulaC4H6O2
Molecular Weight86.09
InChIInChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3
InChI KeyXTXRWKRVRITETP-UHFFFAOYSA-N
SMILESCC(=O)OC=C 
Patent Information
Patent IDTitlePublication Date
CN117466734Method for preparing lipoic acid intermediate by using continuous flow2024
US2023/30626HYDROSILYLABLE MIXTURE INCLUDING STRONG ELECTRON DONORS, AS CATALYST ADDITIVE2023
WO2023/21080CHEMICAL PROCESS FOR VINYL ETHER SYNTHESIS2023
WO2023/201154SILICONE – VINYLESTER FUNCTIONAL COMPOUNDS AND METHODS FOR THEIR PREPARATION AND USE IN PERSONAL CARE COMPOSITIONS2023
CN114805182Method for synthesizing indole spiro-propane compound through visible light catalysis2022
CN114763339Preparation method of triazine derivative2022

Physical Data

AppearanceTransparent liquid
Melting Point, °C
-93
72
-93.2
Boiling Point, °CPressure (Boiling Point), Torr
72.3
72 – 73
72
73
72.79759.826
72
72.95759.811
Density, g·cm-3Measurement Temperature, °C
0.9065239.99
0.9130734.99
0.9195629.99
0.9260124.99
0.9324119.99
0.912834.99
0.919329.99
Description (Association (MCS))Temperature (Association (MCS)), °CPartner (Association (MCS))
Desorptionmanganese(IV) oxide
Desorptionmanganese dioxide
Desorptionmanganese dioxide
Further physical properties of the adsorbed moleculePd(111)-(2*2)O surface
Desorption109.9 – 149.9AR-3 charcoal
Adsorption

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Temperature (NMR Spectroscopy), °C
Spectrum1Hchloroform-d124.84
Spectrum1HCD3OD
Chemical shifts, Spectrum1Hchloroform-d1
Chemical shifts, Spectrum13Cchloroform-d1
Spectrum1H
Spectrum1Hdimethylsulfoxide-d6
Description (IR Spectroscopy)Solvent (IR Spectroscopy)Temperature (IR Spectroscopy), °C
Bands
ATR (attenuated total reflectance), Bands, Spectrum
Intensity of IR bands, Bands, Spectrumpotassium bromide
Bands, Spectrumpotassium bromide
Bands, Spectrummethanol20.84
Bands, Spectrumpropan-1-ol20.84
Bands, Spectrumethanol20.84
Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Comment (UV/VIS Spectroscopy)
Spectrum
Spectrumethanol210 – 270 nm
Spectrum250 – 360 nm, unverduennt.
Spectrumhexane
Spectrumder reinen Substanz.
Spectrum2,2,4-trimethyl-pentane

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Vinyl acetate CAS 108-05-4
Route of Synthesis (ROS) of Vinyl acetate CAS 108-05-4
ConditionsYield
With bromine In tetrachloromethane100%
With propane 3-bromo-1-(triphenylphosphonium) tribromide In dichloromethane at 20℃; for 0.5h;

Experimental Procedure
3.3. General experimental procedure for bromination of alkenes
General procedure: In a typical reaction, the alkene (3 mmol) was dissolved indichloromethane (5 mL) and stirred well for 2 min. Propane 3-bromo-1-(triphenyl phosphonium) tribromide II (3 mmol) dissolvedin dichloromethane (5 mL) andwas added to alkene solutiondropwise with constant stirring at room temperature. The progressof the reaction was monitored by TLC and GC. After completion ofthe reaction and disappearance of the yellow-orange color of reagentII, the solvent evaporated and diethyl ether was added(3 5 ml). The mixture was filtered and the solvent evaporated. The crude product thus obtained and then subjected to a shortcolumn of silica gel using a mixture of n-hexane and ethyl acetate(8:2) as the eluent. All of the isolated products are known andphysical data have been reported in the literature. The mainproducts, reaction times and isolated yields are tabulated in Table 2.To confirm, the products were subjected to DSC and GC/MS andspectra were compared and validated with the NIST library (seesupporting information).		90%
With bromine for 3h;62%

Safety and Hazards

Pictogram(s)flameexclamation-markhealth-hazard
SignalDanger
GHS Hazard StatementsH225 (> 99.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H332 (56.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]
H335 (56.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H351 (57.8%): Suspected of causing cancer [Warning Carcinogenicity]
H412 (28.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement CodesP203, P210, P233, P240, P241, P242, P243, P261, P271, P273, P280, P303+P361+P353, P304+P340, P317, P318, P319, P370+P378, P403+P233, P403+P235, P405, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationUnder room temperature away from light
HS Code
StorageUnder room temperature away from light
Shelf Life2 years
Market Price
Druglikeness
Lipinski rules component
Molecular Weight86.0904
logP0.694
HBA2
HBD0
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)26.3
Rotatable Bond (RotB)2
Matching Veber Rules2
Use Pattern
Vinyl acetate is the main raw material for the manufacture of synthetic fiber vinylon. Vinyl acetate is polymerized by itself or copolymerized with sub-monomers to obtain polyvinyl alcohol, vinyl acetate-ethylene copolymer (EVA), vinyl acetate-vinyl chloride copolymer (EVC), vinyl acetate-acrylonitrile fiber, and vinyl acetate-acrylic acid ester copolymer. They all have important industrial uses and are widely used as adhesives, architectural coatings, textile sizing agents and finishing agents, paper reinforcement agents, and for the manufacture of safety glass, etc. Vinyl acetate reacts with ethanol and bromine to produce bromoacetaldehyde diethyl acetal. This is an intermediate for the drug methimazole.

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