6-methylpyridin-2-ol

• ChemBase ID: 13660
• Molecular Formular: C6H7NO
• Molecular Mass: 109.12588
• Monoisotopic Mass: 109.05276385
• SMILES: n1c(O)cccc1C
• Canonical SMILES: Cc1cccc(n1)O
• InChI: InChI=1S/C6H7NO/c1-5-3-2-4-6(8)7-5/h2-4H,1H3,(H,7,8)
• InChIKey: JEAVIRYCMBDJIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methylpyridin-2-ol
• IUPAC Traditional name: 6-methylpyridin-2-ol
• Synonyms: 6-Methyl-2-pyridinol; 6-Methyl-2-pyridone; 2-Hydroxy-6-methylpyridine; 6-Hydroxy-2-picoline; 6-methylpyridin-2-ol; 2-Hydroxy-6-methylpyridine; 6-甲基-2-吡啶醇; 6-甲基-2-羟基吡啶; 2-羟基-6-甲基吡啶

Database IDs

• CAS Number: 3279-76-3
• EC Number: 221-919-5
• MDL Number: MFCD00006279
• Beilstein Number: 107073
• PubChem SID: 24879687; 24847873; 160976967
• PubChem CID: 76772

CALCULATED PROPERTIES

• Acid pKa: 11.893823
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.177829
• LogD (pH = 7.4): 1.1778219
• Log P: 1.1778358
• Molar Refractivity: 30.787 cm^3
• Polarizability: 11.800391 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157-159 °C; 157-159 °C(lit.); 157-161°C; 161-163°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (NT); 97%; 98%
• Grade: purum
• Empirical Formula (Hill Notation): C6H7NO

DETAILS

Sigma Aldrich - 128740

Packaging
25 g in poly bottle
5 g in glass bottle