2,6-diethylphenol

• ChemBase ID: 37062
• Molecular Formular: C10H14O
• Molecular Mass: 150.21756
• Monoisotopic Mass: 150.10446507
• SMILES: c1ccc(c(c1CC)O)CC
• Canonical SMILES: CCc1cccc(c1O)CC
• InChI: InChI=1S/C10H14O/c1-3-8-6-5-7-9(4-2)10(8)11/h5-7,11H,3-4H2,1-2H3
• InChIKey: METWAQRCMRWDAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-diethylphenol
• IUPAC Traditional name: phenol, 2,6-diethyl-
• Synonyms: 2,6-Diethylphenol

Database IDs

• CAS Number: 1006-59-3
• MDL Number: MFCD01707589
• PubChem SID: 161000369
• PubChem CID: 70507

CALCULATED PROPERTIES

• Acid pKa: 10.607384
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.5856571
• LogD (pH = 7.4): 3.5853927
• Log P: 3.5856607
• Molar Refractivity: 47.3233 cm^3
• Polarizability: 18.163063 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 97%