1-(diethoxymethyl)-4-methoxybenzene

• ChemBase ID: 295671
• Molecular Formular: C12H18O3
• Molecular Mass: 210.26952
• Monoisotopic Mass: 210.12559444
• SMILES: CCOC(c1ccc(cc1)OC)OCC
• Canonical SMILES: CCOC(c1ccc(cc1)OC)OCC
• InChI: InChI=1S/C12H18O3/c1-4-14-12(15-5-2)10-6-8-11(13-3)9-7-10/h6-9,12H,4-5H2,1-3H3
• InChIKey: FTTLMNXOYOVHAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(diethoxymethyl)-4-methoxybenzene
• IUPAC Traditional name: 1-(diethoxymethyl)-4-methoxybenzene
• Synonyms: p-Anisaldehyde diethyl acetal; 4-Methoxybenzaldehyde diethyl acetal; 4-甲氧基苯甲醛二乙基缩醛

Database IDs

• CAS Number: 2403-58-9
• EC Number: 219-288-6
• MDL Number: MFCD00672800
• PubChem SID: 180681202
• PubChem CID: 75468

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.6838698
• LogD (pH = 7.4): 2.6838698
• Log P: 2.6838698
• Molar Refractivity: 59.3666 cm^3
• Polarizability: 23.425371 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 103-104°C/3.5mm
• Density: 1.06
• Refractive Index: 1.4920

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 98%