(2-methoxyphenyl)methanol

• ChemBase ID: 83599
• Molecular Formular: C8H10O2
• Molecular Mass: 138.1638
• Monoisotopic Mass: 138.06807956
• SMILES: OCc1c(cccc1)OC
• Canonical SMILES: COc1ccccc1CO
• InChI: InChI=1S/C8H10O2/c1-10-8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3
• InChIKey: WYLYBQSHRJMURN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyphenyl)methanol
• IUPAC Traditional name: O-methoxybenzyl alcohol
• Synonyms: 2-Methoxybenzyl alcohol; (2-Methoxyphenyl)methanol; o-Anisyl alcohol; 2-(Hydroxymethyl)anisole; (2-Methoxyphenyl)methanol; 2-Methoxybenzyl alcohol 98%; o-METHOXYBENZYL ALCOHOL; 邻茴香醇; 2-甲氧基苄醇; 2-甲氧基苯甲醇

Database IDs

• CAS Number: 612-16-8
• EC Number: 210-296-5
• MDL Number: MFCD00004611
• Beilstein Number: 2043673
• PubChem SID: 24896613; 24883571; 162070716
• PubChem CID: 69154

CALCULATED PROPERTIES

• Acid pKa: 14.708468
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0482248
• LogD (pH = 7.4): 1.0482248
• Log P: 1.0482248
• Molar Refractivity: 39.3371 cm^3
• Polarizability: 15.298272 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 248-250 °C(lit.); 248-250°C; 248-250°C
• Flash Point: >110°C; >110°C(230°F); 110 °C; 230 °F
• Density: 1.039 g/mL at 25 °C(lit.); 1.12
• Refractive Index: 1.5475; n20/D 1.547(lit.); n20/D 1.548

Safety Information

• Storage Warning: Irritant
• German water hazard class: 3
• TSCA Listed: 是
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (GC); 95+%; 99%
• Grade: purum
• Linear Formula: CH3OC6H4CH2OH

DETAILS

MP Biomedicals - 05205412

MP Biomedicals Rare Chemical collection

Sigma Aldrich - M10808

Packaging
5 g in glass bottle