1-ethenyl-4-methoxybenzene

• ChemBase ID: 88719
• Molecular Formular: C9H10O
• Molecular Mass: 134.1751
• Monoisotopic Mass: 134.07316494
• SMILES: O(c1ccc(cc1)C=C)C
• Canonical SMILES: COc1ccc(cc1)C=C
• InChI: InChI=1S/C9H10O/c1-3-8-4-6-9(10-2)7-5-8/h3-7H,1H2,2H3
• InChIKey: UAJRSHJHFRVGMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethenyl-4-methoxybenzene
• IUPAC Traditional name: benzene, 1-ethenyl-4-methoxy-
• Synonyms: 4-Vinylanisole; 1-Ethenyl-4-methoxybenzene; 4-Methoxystyrene; 4-Methoxystyrene; 4-Methoxystyrene; 4-Vinylanisole; 4-甲氧基苯乙烯; 4-甲氧基苯乙烯; 4-乙烯基苯乙醚

Database IDs

• CAS Number: 637-69-4
• EC Number: 211-298-9
• MDL Number: MFCD00008619
• Beilstein Number: 1098935
• PubChem SID: 162075638; 24848486; 24883958
• PubChem CID: 12507

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5522766
• LogD (pH = 7.4): 2.5522766
• Log P: 2.5522766
• Molar Refractivity: 42.2075 cm^3
• Polarizability: 16.39295 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 204-205 °C(lit.); 204-205°C; 41-42 °C/0.5 mmHg(lit.); 41-42°C/0.5mm
• Flash Point: 170.6 °F; 72°C(161°F); 77 °C; 77°C
• Density: 0.997 g/mL at 20 °C(lit.); 1.002; 1.009 g/mL at 25 °C(lit.); 1.09
• Refractive Index: 1.5610; n20/D 1.562; n20/D 1.562(lit.)

Safety Information

• Storage Warning: Irritant/Keep Cold
• German water hazard class: 3
• TSCA Listed: 否
• GHS Hazard statements: H227
• GHS Precautionary statements: P210-P280-P370+P378A-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (GC); 97%; 98%, stab. with 0.1% 4-tert-butylcatechol
• Grade: purum
• Contains: ~0.1% 4-tert-butylcatechol as stabilizer
• Linear Formula: H2C=CHC6H4OCH3
• Empirical Formula (Hill Notation): C9H10O

DETAILS

Sigma Aldrich - 141003

Application
Employed in the ferric chloride-catalyzed addition of activated methylenes to styrenes.1
Packaging
5, 25 g in glass bottle