2-ethoxy-4-methylphenol

• ChemBase ID: 302120
• Molecular Formular: C9H12O2
• Molecular Mass: 152.19038
• Monoisotopic Mass: 152.08372962
• SMILES: CCOc1cc(ccc1O)C
• Canonical SMILES: CCOc1cc(C)ccc1O
• InChI: InChI=1S/C9H12O2/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6,10H,3H2,1-2H3
• InChIKey: ZWQBCCVEOIYNDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-4-methylphenol
• IUPAC Traditional name: 2-ethoxy-4-methylphenol
• Synonyms: 2-Ethoxy-p-cresol; 2-Ethoxy-4-methylphenol; 2-乙氧基-4-甲基苯酚

Database IDs

• CAS Number: 2563-07-7
• EC Number: 000-000-0
• MDL Number: MFCD00043697
• Beilstein Number: 1865448

CALCULATED PROPERTIES

• Acid pKa: 10.3253145
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3822322
• LogD (pH = 7.4): 2.3817263
• Log P: 2.3822386
• Molar Refractivity: 44.2919 cm^3
• Polarizability: 17.054396 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 28-30°C
• Boiling Point: 103°C/3mm
• Refractive Index: 1.5230

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95%