1-propylcyclohexan-1-ol

• ChemBase ID: 112726
• Molecular Formular: C9H18O
• Molecular Mass: 142.23862
• Monoisotopic Mass: 142.1357652
• SMILES: CCCC1(O)CCCCC1
• Canonical SMILES: CCCC1(O)CCCCC1
• InChI: InChI=1S/C9H18O/c1-2-6-9(10)7-4-3-5-8-9/h10H,2-8H2,1H3
• InChIKey: PYLPYOPJKOJRNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-propylcyclohexan-1-ol
• IUPAC Traditional name: 1-propylcyclohexan-1-ol
• Synonyms: 1-n-PROPYL CYCLOHEXANOL-1; 1-n-Propylcyclohexanol; 1-正-丙基环己醇

Database IDs

• CAS Number: 5445-24-9
• MDL Number: MFCD00046364
• PubChem SID: 162106880
• PubChem CID: 138504

CALCULATED PROPERTIES

• Acid pKa: 19.819828
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5283608
• LogD (pH = 7.4): 2.528361
• Log P: 2.528361
• Molar Refractivity: 43.0387 cm^3
• Polarizability: 17.201416 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05225533

MP Biomedicals Rare Chemical collection