1-cyclohexylethan-1-ol

• ChemBase ID: 110907
• Molecular Formular: C8H16O
• Molecular Mass: 128.21204
• Monoisotopic Mass: 128.12011513
• SMILES: CC(O)C1CCCCC1
• Canonical SMILES: CC(C1CCCCC1)O
• InChI: InChI=1S/C8H16O/c1-7(9)8-5-3-2-4-6-8/h7-9H,2-6H2,1H3
• InChIKey: JMSUNAQVHOHLMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexylethan-1-ol
• IUPAC Traditional name: cyclohexanemethanol, α-methyl-
• Synonyms: α-Methylcyclohexanemethanol; (1-Hydroxyethyl)cyclohexane; 1-Cyclohexylethanol; Cyclohexyl methyl carbinol; 1-cyclohexylethan-1-ol; 1-CYCLOHEXYLETHANOL; α-甲基环己基甲醇; alpha-甲基环己基甲醇; 1-环己基乙醇

Database IDs

• CAS Number: 1193-81-3
• EC Number: 214-780-7
• MDL Number: MFCD00001475
• Beilstein Number: 2322053
• PubChem SID: 162096600; 24846983
• PubChem CID: 137829

CALCULATED PROPERTIES

• Acid pKa: 18.462717
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0122812
• LogD (pH = 7.4): 2.0122812
• Log P: 2.0122812
• Molar Refractivity: 38.4251 cm^3
• Polarizability: 15.356882 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 188-190°C; 189 °C(lit.)
• Flash Point: 163.4 °F; 73 °C; 73°C(163°F)
• Density: 0.92; 0.928 g/mL at 25 °C(lit.)
• Refractive Index: 1.4650; n20/D 1.465(lit.)
• Hydrophobicity(logP): 2.195

Safety Information

• RTECS: GV5776500
• European Hazard Symbols: X
• German water hazard class: 2
• Risk Statements: 21/22
• Safety Statements: 36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06
• GHS Hazard statements: H301-H311-H227
• GHS Precautionary statements: P210-P301+P310-P361-P302+P352-P405-P501A
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95%; 95+%; 97%; 98%
• Linear Formula: CH3CH(C6H11)OH

DETAILS

MP Biomedicals - 05216910

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 110434

Packaging
5 g in glass bottle