2-methoxy-5-methylphenol

• ChemBase ID: 6727
• Molecular Formular: C8H10O2
• Molecular Mass: 138.1638
• Monoisotopic Mass: 138.06807956
• SMILES: c1(ccc(c(c1)O)OC)C
• Canonical SMILES: COc1ccc(cc1O)C
• InChI: InChI=1S/C8H10O2/c1-6-3-4-8(10-2)7(9)5-6/h3-5,9H,1-2H3
• InChIKey: IFNDEOYXGHGERA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-methylphenol
• IUPAC Traditional name: 2-methoxy-5-methylphenol
• Synonyms: 2-Methoxy-5-methylphenol; Isocreosol; 5-Methylguaiacol; 2-Methoxy-5-methylphenol; 2-甲氧基-5-甲基苯酚

Database IDs

• CAS Number: 1195-09-1
• EC Number: 214-791-7
• MDL Number: MFCD00040901
• Beilstein Number: 1817644
• PubChem SID: 160970034
• PubChem CID: 14519

CALCULATED PROPERTIES

• Acid pKa: 10.076402
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.0254192
• LogD (pH = 7.4): 2.0245225
• Log P: 2.0254307
• Molar Refractivity: 39.5433 cm^3
• Polarizability: 15.212814 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 35-39°C; 37-39°C
• Boiling Point: 115-117°C/20mm; 115-117°C/20mm
• Refractive Index: 1.5340

Safety Information

• Storage Warning: IRRITANT
• RTECS: GP1770000
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false; 否
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H315-H319-H335
• GHS Precautionary statements: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A

Product Information

• Purity: 98%