(2-phenylpropan-2-yl)benzene

• ChemBase ID: 109989
• Molecular Formular: C15H16
• Molecular Mass: 196.28754
• Monoisotopic Mass: 196.12520051
• SMILES: CC(C)(c1ccccc1)c1ccccc1
• Canonical SMILES: CC(c1ccccc1)(c1ccccc1)C
• InChI: InChI=1S/C15H16/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
• InChIKey: MILSYCKGLDDVLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenylpropan-2-yl)benzene
• IUPAC Traditional name: (2-phenylpropan-2-yl)benzene
• Synonyms: 2,2-Diphenylpropane; 2,2-DIPHENYLPROPANE; 2,2-二苯基丙烷

Database IDs

• CAS Number: 778-22-3
• EC Number: 212-292-9
• MDL Number: MFCD00008794
• Beilstein Number: 2041894
• PubChem SID: 24893628; 162095380; 24867048
• PubChem CID: 13065

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6521063
• LogD (pH = 7.4): 4.6521063
• Log P: 4.6521063
• Molar Refractivity: 75.3133 cm^3
• Polarizability: 25.50031 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 26-28 °C; 26-28 °C(lit.)
• Boiling Point: 282 °C(lit.)
• Density: 0.992 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.57(lit.)

Safety Information

• European Hazard Symbols: Flammable (F)
• German water hazard class: 3
• Risk Statements: R:18
• Safety Statements: S:29
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥96%; ≥96.0% (GC)
• Grade: purum
• Linear Formula: (CH3)2C(C6H5)2

DETAILS

MP Biomedicals - 05213291

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D211508

Packaging
5, 25 g in glass bottle