cyclopentylmethanol

• ChemBase ID: 69764
• Molecular Formular: C6H12O
• Molecular Mass: 100.15888
• Monoisotopic Mass: 100.088815
• SMILES: C1(CCCC1)CO
• Canonical SMILES: OCC1CCCC1
• InChI: InChI=1S/C6H12O/c7-5-6-3-1-2-4-6/h6-7H,1-5H2
• InChIKey: ISQVBYGGNVVVHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentylmethanol
• IUPAC Traditional name: cyclopentanemethanol
• Synonyms: Cyclopentylmethanol; Cyclopentylcarbinol; (Hydroxymethyl)cyclopentane; (Hydroxymethyl)cyclopentane; Cyclopentyl carbinol; Cyclopentanemethanol; cyclopentylmethanol; Cyclopentanemethanol; 环戊烷甲醇; (羟甲基)环戊烷; 环戊基甲醇; 环戊甲醇

Database IDs

• CAS Number: 3637-61-4
• EC Number: 222-861-3
• MDL Number: MFCD00001384
• Beilstein Number: 1919000
• PubChem SID: 162035489; 24846632
• PubChem CID: 77195

CALCULATED PROPERTIES

• Acid pKa: 17.638254
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.1511375
• LogD (pH = 7.4): 1.1511376
• Log P: 1.1511376
• Molar Refractivity: 29.4053 cm^3
• Polarizability: 11.669966 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 162-163 °C(lit.); 162-163°C; 162-163°C
• Flash Point: 143.6 °F; 62 °C; 62°C; 62°C(143°F)
• Density: 0.925; 0.926; 0.926 g/mL at 25 °C(lit.)
• Refractive Index: 1.4580; n20/D 1.458(lit.)
• Hydrophobicity(logP): 1.327

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 95%; 95+%; 98%
• Linear Formula: C5H9CH2OH

DETAILS

Sigma Aldrich - 103985

Packaging
5, 10 g in glass bottle