1-butylcyclohexan-1-ol

• ChemBase ID: 110747
• Molecular Formular: C10H20O
• Molecular Mass: 156.2652
• Monoisotopic Mass: 156.15141526
• SMILES: CCCCC1(O)CCCCC1
• Canonical SMILES: CCCCC1(O)CCCCC1
• InChI: InChI=1S/C10H20O/c1-2-3-7-10(11)8-5-4-6-9-10/h11H,2-9H2,1H3
• InChIKey: RCHLXMOXBJRGNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butylcyclohexan-1-ol
• IUPAC Traditional name: 1-butylcyclohexan-1-ol
• Synonyms: 1-n-Butylcyclohexanol; 1-BUTYLCYCLOHEXANOL; 1-正-丁基环己醇

Database IDs

• CAS Number: 5445-30-7
• MDL Number: MFCD00021404
• PubChem SID: 162096935
• PubChem CID: 138505

CALCULATED PROPERTIES

• Acid pKa: 19.75823
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9729297
• LogD (pH = 7.4): 2.97293
• Log P: 2.97293
• Molar Refractivity: 47.6397 cm^3
• Polarizability: 19.046404 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 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%

DETAILS

MP Biomedicals - 05216177

MP Biomedicals Rare Chemical collection