1-ethenyl-2-methoxybenzene

• ChemBase ID: 87503
• Molecular Formular: C9H10O
• Molecular Mass: 134.1751
• Monoisotopic Mass: 134.07316494
• SMILES: O(c1ccccc1C=C)C
• Canonical SMILES: C=Cc1ccccc1OC
• InChI: InChI=1S/C9H10O/c1-3-8-6-4-5-7-9(8)10-2/h3-7H,1H2,2H3
• InChIKey: SFBTTWXNCQVIEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethenyl-2-methoxybenzene
• IUPAC Traditional name: benzene, 1-ethenyl-2-methoxy-
• Synonyms: 2-Vinylanisole; 2-Vinylanisole; 1-Ethenyl-2-methoxybenzene; 2-Methoxystyrene; 2-甲氧基苯乙烯

Database IDs

• CAS Number: 612-15-7
• EC Number: 210-294-4
• MDL Number: MFCD00080566
• PubChem SID: 162074543; 24880074
• PubChem CID: 61153
• FEMA ID: 3248

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: 16.395346 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 36-43 °C/0.5 mmHg(lit.); 36-43°C°C/0.5mm
• Flash Point: 134.6 °F; 57 °C; 57°C°C
• Density: 0.999; 0.999 g/mL at 25 °C(lit.)
• Refractive Index: 1.5540; n20/D 1.5540(lit.)

Safety Information

• Storage Warning: Flammable/Irritant/Keep Cold
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1993 3/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 98%
• Contains: ~0.1% t-Butylcatechol as inhibitor; 0.1 M 4-tert-butylcatechol as inhibitor
• Linear Formula: C6H4(OCH3)CHCH2

DETAILS

Apollo Scientific Ltd - OR30975

Inhibited with 0.1 M 4-tert-butylcatechol

Sigma Aldrich - 563064

Packaging
1, 5 g in glass bottle