pentylcyclohexane

• ChemBase ID: 295687
• Molecular Formular: C11H22
• Molecular Mass: 154.29238
• Monoisotopic Mass: 154.1721507
• SMILES: CCCCCC1CCCCC1
• Canonical SMILES: CCCCCC1CCCCC1
• InChI: InChI=1S/C11H22/c1-2-3-5-8-11-9-6-4-7-10-11/h11H,2-10H2,1H3
• InChIKey: HLTMUYBTNSVOFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentylcyclohexane
• IUPAC Traditional name: pentylcyclohexane
• Synonyms: n-Amylcyclohexane; 1-Cyclohexylpentane; n-Pentylcyclohexane; 正戊基环己烷

Database IDs

• CAS Number: 4292-92-6
• EC Number: 224-296-8
• MDL Number: MFCD00019402
• PubChem SID: 180681218
• PubChem CID: 20284

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.7327056
• LogD (pH = 7.4): 4.7327056
• Log P: 4.7327056
• Molar Refractivity: 50.5586 cm^3
• Polarizability: 20.317463 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -58°C
• Boiling Point: 202°C
• Flash Point: 63°C(145°F)
• Density: 0.800
• Refractive Index: 1.4445

Safety Information

• TSCA Listed: 是
• GHS Pictograms: GHS09
• GHS Hazard statements: H400-H410-H227

Product Information

• Purity: 98%