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108-05-4 molecular structure
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ethenyl acetate

ChemBase ID: 130149
Molecular Formular: C4H6O2
Molecular Mass: 86.08924
Monoisotopic Mass: 86.03677943
SMILES and InChIs

SMILES:
C=COC(=O)C
Canonical SMILES:
CC(=O)OC=C
InChI:
InChI=1S/C4H6O2/c1-3-6-4(2)5/h3H,1H2,2H3
InChIKey:
XTXRWKRVRITETP-UHFFFAOYSA-N

Cite this record

CBID:130149 http://www.chembase.cn/molecule-130149.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethenyl acetate
IUPAC Systematic name
Ethenyl ethanoate
IUPAC Traditional name
vinyl acetate
Synonyms
Acetic acid vinyl ester
acetoxyethenr
VyAr
VAr
zeset r
VAM vinyl acetate monomer
acetic acid ethenyl ester
1-acetoxyethylene
Vinyl acetate
Acetoxyethylene
Vinyl acetate
Polyvinyl acetate, M.W. ca 50,000
乙烯基乙酸酯
聚醋酸乙烯酯, M.W. ca 50,000
醋酸乙烯酯
乙酸乙烯酯
CAS Number
108-05-4
9003-20-7
EC Number
203-545-4
MDL Number
MFCD00008713
MFCD00084457
Beilstein Number
1209327
Merck Index
149992
PubChem SID
24869714
24900717
162224433
PubChem CID
7904
KEGG ID
C19309
Wikipedia Title
Vinyl_acetate

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.42722273  LogD (pH = 7.4) 0.42722273 
Log P 0.42722273  Molar Refractivity 21.105 cm3
Polarizability 8.640089 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Colorless liquid expand Show data source
Melting Point
-100°C expand Show data source
-93 °C(lit.) expand Show data source
-93°C expand Show data source
Boiling Point
72.7°C expand Show data source
72-73 °C(lit.) expand Show data source
72-73°C expand Show data source
Flash Point
17.6 °F expand Show data source
-8 °C expand Show data source
-8 °C expand Show data source
-8°C(18°F) expand Show data source
Auto Ignition Point
427 °C expand Show data source
801 °F expand Show data source
Density
0.932 expand Show data source
0.932 g/mL at 20 °C expand Show data source
0.934 g/cm3 expand Show data source
0.934 g/mL at 25 °C(lit.) expand Show data source
Refractive Index
1.3960 expand Show data source
n20/D 1.395 expand Show data source
n20/D 1.395(lit.) expand Show data source
Vapor Pressure
88 mmHg ( 20 °C) expand Show data source
Vapor Density
3 (vs air) expand Show data source
RTECS
AK0875000 expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
UN Number
1301 expand Show data source
UN1301 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
2 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
2 expand Show data source
II expand Show data source
Risk Statements
11 expand Show data source
R11 expand Show data source
Safety Statements
16-23-29-33 expand Show data source
S16, S23, S29, S33 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS Signal Word
Danger expand Show data source
NFPA704
NFPA 704 diagram
3
2
2
expand Show data source
Explode Limits
13.4 % expand Show data source
2.6–13.40% expand Show data source
GHS Hazard statements
H225 expand Show data source
GHS Precautionary statements
P210 expand Show data source
P210-P241-P280-P303+P361+P353-P403+P235-P501A expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 1301 3/PG 2 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥99% expand Show data source
≥99.0% (GC) expand Show data source
99%, stab. with 8-12ppm hydroquinone expand Show data source
Grade
analytical standard expand Show data source
CP expand Show data source
purum expand Show data source
Packaging
pkg of 1000 mg expand Show data source
Suitability
suitable for 8240 per US EPA expand Show data source
suitable for 8260 per US EPA expand Show data source
Contains
~0.0015% hydroquinone as stabilizer expand Show data source
3-20 ppm hydroquinone as inhibitor expand Show data source
Linear Formula
CH3CO2CH=CH2 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 48486 external link
Other Notes
Contains 3-20 ppm hydroquinone as an inhibitor
Sigma Aldrich - V1503 external link
Packaging
1, 2, 2.5 L in glass bottle
18 L in steel drum
25 mL in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • For example of mercuric acetate-catalyzed transesterification to long-chain vinyl esters, see: Org. Synth. Coll., 4, 977 (1963).
  • • For thermal [2+2] cycloaddition with chlorotrifluoroethylene, see: Org. Synth. Coll., 5, 235 (1973); and with chlorosulfonyl isocyanate to give a ?-lactam: Org. Synth. Coll., 8, 3 (1993).
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PATENTS

PATENTS

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INTERNET

INTERNET

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