2-cyclopentylethan-1-ol

• ChemBase ID: 110916
• Molecular Formular: C7H14O
• Molecular Mass: 114.18546
• Monoisotopic Mass: 114.10446507
• SMILES: OCCC1CCCC1
• Canonical SMILES: OCCC1CCCC1
• InChI: InChI=1S/C7H14O/c8-6-5-7-3-1-2-4-7/h7-8H,1-6H2
• InChIKey: JEXQWCBPEWHFKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentylethan-1-ol
• IUPAC Traditional name: 2-hydroxyethylcyclopentane
• Synonyms: 2-cyclopentylethan-1-ol; METHYLCYCLOPENTYLCARBINOL; 2-(2-Hydroxyethyl)cyclopentane; 2-Cyclopentylethanol; 2-环戊基乙醇

Database IDs

• CAS Number: 766-00-7
• EC Number: 212-156-9
• MDL Number: MFCD00019301
• Beilstein Number: 2069860
• PubChem SID: 162096556
• PubChem CID: 69833

CALCULATED PROPERTIES

• Acid pKa: 17.086626
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.5177524
• LogD (pH = 7.4): 1.5177525
• Log P: 1.5177525
• Molar Refractivity: 34.0833 cm^3
• Polarizability: 13.512976 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 182°C
• Flash Point: 70°C(158°F)
• Density: 0.920
• Refractive Index: 1.4585
• Hydrophobicity(logP): 1.856

Safety Information

• TSCA Listed: 否
• GHS Hazard statements: H227

Product Information

• Purity: 95%; 98+%

DETAILS

MP Biomedicals - 05216960

MP Biomedicals Rare Chemical collection