4-ethenylphenol

• ChemBase ID: 125460
• Molecular Formular: C8H8O
• Molecular Mass: 120.14852
• Monoisotopic Mass: 120.05751488
• SMILES: C=Cc1ccc(cc1)O
• Canonical SMILES: C=Cc1ccc(cc1)O
• InChI: InChI=1S/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2
• InChIKey: FUGYGGDSWSUORM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethenylphenol
• IUPAC Traditional name: 4-vinylphenol
• Synonyms: p-Vinylphenol; p-Hydroxystyrene; 4-VP; 4-Vinylphenol; 4-Hydroxystyrene; 4-Vinylphenol; 4-乙烯基苯酚

Database IDs

• CAS Number: 2628-17-3
• EC Number: 220-103-6
• MDL Number: MFCD00017593
• Beilstein Number: 506844
• PubChem SID: 162219810
• PubChem CID: 62453
• Unique Ingredient Identifier: OA7V1SM8YL
• Wikipedia Title: 4-Vinylphenol

CALCULATED PROPERTIES

• Acid pKa: 9.564744
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4063454
• LogD (pH = 7.4): 2.4034379
• Log P: 2.4063826
• Molar Refractivity: 37.7252 cm^3
• Polarizability: 14.470727 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >100°C(212°F)
• Density: 1.04
• Refractive Index: 1.4440

Safety Information

• Storage Warning: Hygroscopic
• RTECS: SN3800000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313

Product Information

• Purity: ca 10% soln. in propylene glycol