[(2-methylprop-2-en-1-yl)oxy]benzene

• ChemBase ID: 137939
• Molecular Formular: C10H12O
• Molecular Mass: 148.20168
• Monoisotopic Mass: 148.088815
• SMILES: CC(=C)COc1ccccc1
• Canonical SMILES: CC(=C)COc1ccccc1
• InChI: InChI=1S/C10H12O/c1-9(2)8-11-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3
• InChIKey: LECDNXOCIPRJNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methylprop-2-en-1-yl)oxy]benzene
• IUPAC Traditional name: [(2-methylprop-2-en-1-yl)oxy]benzene
• Synonyms: Methallyl phenyl ether; 2-Methyl-2-propenyl phenyl ether; 2-Methyl-2-propenyl phenyl ether; Methallyl phenyl ether; 甲烯丙基苯醚

Database IDs

• CAS Number: 5820-22-4
• EC Number: 227-393-3
• MDL Number: MFCD00008597
• Beilstein Number: 1933868
• PubChem SID: 162232199
• PubChem CID: 79893

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7901857
• LogD (pH = 7.4): 2.7901857
• Log P: 2.7901857
• Molar Refractivity: 45.9659 cm^3
• Polarizability: 18.164965 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 175-176 °C(lit.); 204°C
• Flash Point: 150.8 °F; 66 °C; 77°C(171°F)
• Density: 0.964; 0.964 g/mL at 25 °C(lit.)
• Refractive Index: 1.5150; n20/D 1.514(lit.)
• Vapor Density: 5.1 (vs air)

Safety Information

• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 36/37/38-42/43; 42/43
• Safety Statements: 24-37-45; 26-36/37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H317-H319-H335; H334-H317-H227
• GHS Precautionary statements: P260-P280G-P262; P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 90%; 96%
• Grade: technical grade
• Linear Formula: H2C=C(CH3)CH2OC6H5