[(2,2-dimethoxyethoxy)methyl]benzene

• ChemBase ID: 302102
• Molecular Formular: C11H16O3
• Molecular Mass: 196.24294
• Monoisotopic Mass: 196.10994437
• SMILES: COC(COCc1ccccc1)OC
• Canonical SMILES: COC(COCc1ccccc1)OC
• InChI: InChI=1S/C11H16O3/c1-12-11(13-2)9-14-8-10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3
• InChIKey: QITBBLPNYKECAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,2-dimethoxyethoxy)methyl]benzene
• IUPAC Traditional name: [(2,2-dimethoxyethoxy)methyl]benzene
• Synonyms: Benzyloxyacetaldehyde dimethyl acetal; 苄氧基乙醛 二甲基 乙缩醛

Database IDs

• CAS Number: 127657-97-0
• EC Number: 000-000-0
• MDL Number: MFCD00082233
• Beilstein Number: 3261948

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0809495
• LogD (pH = 7.4): 2.0809495
• Log P: 2.0809495
• Molar Refractivity: 54.4497 cm^3
• Polarizability: 21.6062 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 80-82°C/0.5mm
• Density: 1.035
• Refractive Index: 1.4910

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 97%