cyclopentanol

• ChemBase ID: 74483
• Molecular Formular: C5H10O
• Molecular Mass: 86.1323
• Monoisotopic Mass: 86.07316494
• SMILES: OC1CCCC1
• Canonical SMILES: OC1CCCC1
• InChI: InChI=1S/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2
• InChIKey: XCIXKGXIYUWCLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentanol
• IUPAC Traditional name: cyclopentanol
• Synonyms: Cyclopentanol; Cyclopentyl alcohol; Hydroxycyclopentane; Cyclopentanol; 环戊醇

Database IDs

• CAS Number: 91-41-3; 96-41-3
• EC Number: 202-504-8
• MDL Number: MFCD00001363
• Beilstein Number: 1900556
• Merck Index: 142742
• PubChem SID: 24892351; 24857911; 162039402
• PubChem CID: 7298
• CHEBI ID: 16133
• CHEMBL: 288998
• Chemspider ID: 7026
• KEGG ID: C02020
• Wikipedia Title: Cyclopentanol

CALCULATED PROPERTIES

• Acid pKa: 17.949726
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.8361248
• LogD (pH = 7.4): 0.8361248
• Log P: 0.8361248
• Molar Refractivity: 24.6745 cm^3
• Polarizability: 9.8283 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colorless liquid
• Melting Point: -19 °C(lit.); -19°C; -19°C
• Boiling Point: 139-140 °C(lit.); 139–140 °C; 139-141°C; 140°C
• Flash Point: 123.8 °F; 51 °C; 51°C(123°F)
• Density: 0.949 g/mL; 0.949 g/mL at 25 °C(lit.); 0.950
• Refractive Index: 1.4530; n20/D 1.453; n20/D 1.453(lit.)

Safety Information

• UN Number: 2244; UN2244
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10
• Safety Statements: 60
• TSCA Listed: 是
• GHS Pictograms: GHS02
• GHS Signal Word: Warning
• GHS Hazard statements: H226
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2244 3/PG 3

Product Information

• Purity: ≥99.0% (GC); 99%
• Grade: purum
• Linear Formula: C5H9OH

DETAILS

Sigma Aldrich - C112208

Packaging
5, 100, 500 mL in glass bottle