4-ethenylphenyl acetate

• ChemBase ID: 148790
• Molecular Formular: C10H10O2
• Molecular Mass: 162.1852
• Monoisotopic Mass: 162.06807956
• SMILES: CC(=O)Oc1ccc(cc1)C=C
• Canonical SMILES: C=Cc1ccc(cc1)OC(=O)C
• InChI: InChI=1S/C10H10O2/c1-3-9-4-6-10(7-5-9)12-8(2)11/h3-7H,1H2,2H3
• InChIKey: JAMNSIXSLVPNLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethenylphenyl acetate
• IUPAC Traditional name: phenol, 4-ethenyl-, acetate
• Synonyms: 4-Ethenylphenol acetate; 4-Vinylphenyl acetate; 4-Acetoxystyrene; 4-乙酰氧基 苯乙烯; 乙酸-4-乙烯基苯基酯; 对乙酰氧基苯乙烯; 4-乙酰氧基苯乙烯

Database IDs

• CAS Number: 2628-16-2
• EC Number: 434-600-2
• MDL Number: MFCD00075734
• Beilstein Number: 1862793
• PubChem SID: 24863750; 162242964
• PubChem CID: 75821

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3172088
• LogD (pH = 7.4): 2.3172088
• Log P: 2.3172088
• Molar Refractivity: 46.8767 cm^3
• Polarizability: 18.26834 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 7-8 °C(lit.); 7-8°C
• Boiling Point: 259-260°C; 260 °C(lit.)
• Flash Point: 190.4 °F; 87°C(188°F); 88 °C
• Density: 1.06 g/mL at 25 °C(lit.); 1.060
• Refractive Index: 1.5380; n20/D 1.538(lit.)
• Viscosity: 4.2 cP(25 °C, Brookfield)(lit.)

Safety Information

• RTECS: SL3784000
• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22-36/38-42/43; 22-36/38-43
• Safety Statements: 23-24-26-37-45; 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H317-H319; H334-H315-H319-H317-H302-H227-H313
• GHS Precautionary statements: P210-P285-P305+P351+P338-P302+P352-P403+P235-P501A; P280-P305 + P351 + P338
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%, stab.; 96%
• Contains: 200-300 ppm monomethyl ether hydroquinone as inhibitor
• Linear Formula: CH3CO2C6H4CH=CH2

DETAILS

Sigma Aldrich - 380547

Packaging
5, 25 mL in glass bottle
Specificity
Reactivity ratio: 4-Acetoxystyrene/styrene 1.02/0.804-Acetoxystyrene/methyl methacrylate 0.76/0.884-Acetoxystyrene/maleic anhydride 0/0
Application
Polymer used in microlithography. Precursor to p-hydroxystyrene that is readily derivatized.
Features and Benefits
Undergoes free radical polymerization, similar to styrene