cyclooctylmethanol

• ChemBase ID: 112309
• Molecular Formular: C9H18O
• Molecular Mass: 142.23862
• Monoisotopic Mass: 142.1357652
• SMILES: OCC1CCCCCCC1
• Canonical SMILES: OCC1CCCCCCC1
• InChI: InChI=1S/C9H18O/c10-8-9-6-4-2-1-3-5-7-9/h9-10H,1-8H2
• InChIKey: ZHPBLHYKDKSZCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclooctylmethanol
• IUPAC Traditional name: cyclooctylmethanol
• Synonyms: CYCLO OCTYL CARBINOL; Cyclooctyl carbinol; Hydroxymethylcyclooctane; Cyclooctanemethanol; 环辛醇

Database IDs

• CAS Number: 3637-63-6
• EC Number: 222-862-9
• MDL Number: MFCD00001749
• PubChem SID: 162097718
• PubChem CID: 77196

CALCULATED PROPERTIES

• Acid pKa: 17.681559
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4848435
• LogD (pH = 7.4): 2.4848435
• Log P: 2.4848435
• Molar Refractivity: 43.2083 cm^3
• Polarizability: 17.201416 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 93°C(199°F)
• Density: 0.940

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-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05223450

MP Biomedicals Rare Chemical collection