4-cyclopentylphenol

• ChemBase ID: 150358
• Molecular Formular: C11H14O
• Molecular Mass: 162.22826
• Monoisotopic Mass: 162.10446507
• SMILES: c1cc(ccc1C1CCCC1)O
• Canonical SMILES: Oc1ccc(cc1)C1CCCC1
• InChI: InChI=1S/C11H14O/c12-11-7-5-10(6-8-11)9-3-1-2-4-9/h5-9,12H,1-4H2
• InChIKey: SNBKPVVDUBFDEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclopentylphenol
• IUPAC Traditional name: 4-cyclopentylphenol
• Synonyms: 4-Cyclopentylphenol; 4-环戊基苯酚

Database IDs

• CAS Number: 1518-83-8
• MDL Number: MFCD00009953
• PubChem SID: 162244519; 24854832
• PubChem CID: 15202

CALCULATED PROPERTIES

• Acid pKa: 10.256832
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.3400936
• LogD (pH = 7.4): 3.339501
• Log P: 3.340101
• Molar Refractivity: 49.6295 cm^3
• Polarizability: 19.347528 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64-66 °C(lit.)
• Boiling Point: 155 °C/12 mmHg(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95%
• Grade: technical grade
• Linear Formula: C5H9C6H4OH

DETAILS

Sigma Aldrich - 246875

Packaging
1 g in glass bottle