1-octyl-4-phenylbenzene

• ChemBase ID: 296002
• Molecular Formular: C20H26
• Molecular Mass: 266.42044
• Monoisotopic Mass: 266.20345083
• SMILES: CCCCCCCCc1ccc(cc1)c1ccccc1
• Canonical SMILES: CCCCCCCCc1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C20H26/c1-2-3-4-5-6-8-11-18-14-16-20(17-15-18)19-12-9-7-10-13-19/h7,9-10,12-17H,2-6,8,11H2,1H3
• InChIKey: KCLBLDDJJJNGBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-octyl-4-phenylbenzene
• IUPAC Traditional name: 1-octyl-4-phenylbenzene
• Synonyms: 4-n-Octylbiphenyl; 4-正辛基联苯

Database IDs

• CAS Number: 7116-97-4
• MDL Number: MFCD00102113
• PubChem SID: 180681533
• PubChem CID: 201918

CALCULATED PROPERTIES

• Polarizability: 36.193977 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.2458735
• LogD (pH = 7.4): 7.2458735
• Log P: 7.2458735
• Molar Refractivity: 88.4424 cm^3

PROPERTIES

Safety Information

• Safety Statements: 24/25
• TSCA Listed: 否
• GHS Hazard statements: H303
• GHS Precautionary statements: P312

Product Information

• Purity: 97%