(2,6-dimethylphenyl)methanol

• ChemBase ID: 287036
• Molecular Formular: C9H12O
• Molecular Mass: 136.19098
• Monoisotopic Mass: 136.088815
• SMILES: OCc1c(C)cccc1C
• Canonical SMILES: OCc1c(C)cccc1C
• InChI: InChI=1S/C9H12O/c1-7-4-3-5-8(2)9(7)6-10/h3-5,10H,6H2,1-2H3
• InChIKey: JPEYJQDKTDVJSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,6-dimethylphenyl)methanol
• IUPAC Traditional name: (2,6-dimethylphenyl)methanol
• Synonyms: (2,6-Dimethylphenyl)methanol; 2,6-DIMETHYLBENZYL ALCOHOL

Database IDs

• CAS Number: 62285-58-9
• MDL Number: MFCD00128004
• PubChem SID: 180672567
• PubChem CID: 186748

CALCULATED PROPERTIES

• Acid pKa: 15.05254
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2327387
• LogD (pH = 7.4): 2.2327387
• Log P: 2.2327387
• Molar Refractivity: 42.9563 cm^3
• Polarizability: 16.326965 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%