4-ethenyl-1,2-dimethoxybenzene

• ChemBase ID: 135681
• Molecular Formular: C10H12O2
• Molecular Mass: 164.20108
• Monoisotopic Mass: 164.08372962
• SMILES: COc1ccc(cc1OC)C=C
• Canonical SMILES: COc1cc(C=C)ccc1OC
• InChI: InChI=1S/C10H12O2/c1-4-8-5-6-9(11-2)10(7-8)12-3/h4-7H,1H2,2-3H3
• InChIKey: NJXYTXADXSRFTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethenyl-1,2-dimethoxybenzene
• IUPAC Traditional name: 4-ethenyl-1,2-dimethoxybenzene
• Synonyms: 3,4-Dimethoxystyrene; 3,4-二甲氧基苯乙烯

Database IDs

• CAS Number: 6380-23-0
• EC Number: 228-962-9
• MDL Number: MFCD00008615
• PubChem SID: 24849444; 162229954
• PubChem CID: 61400
• FEMA ID: 3138
• Flavis Number: 4.04

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3946054
• LogD (pH = 7.4): 2.3946054
• Log P: 2.3946054
• Molar Refractivity: 48.6707 cm^3
• Polarizability: 18.882233 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 120-125 °C/10 mmHg(lit.)
• Flash Point: >113 °C; >235.4 °F
• Density: 1.109 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.571(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 36; 36-40-43-68
• Safety Statements: 26-36/37
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H317-H319-H341-H351; H319
• GHS Precautionary statements: P280-P305 + P351 + P338; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Grade: technical grade
• Contains: 1% hydroquinone as inhibitor
• Linear Formula: (CH3O)2C6H3CH=CH2

DETAILS

Sigma Aldrich - 154466

Packaging
5, 10 g in glass bottle