1-methyl-4-(4-methylphenyl)benzene

• ChemBase ID: 81943
• Molecular Formular: C14H14
• Molecular Mass: 182.26096
• Monoisotopic Mass: 182.10955045
• SMILES: Cc1ccc(cc1)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)c1ccc(cc1)C
• InChI: InChI=1S/C14H14/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14/h3-10H,1-2H3
• InChIKey: RZTDESRVPFKCBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-4-(4-methylphenyl)benzene
• IUPAC Traditional name: 1-methyl-4-(4-methylphenyl)benzene
• Synonyms: 4,4'-Dimethyl-1,1'-biphenyl; p,p′-Bitoluene; 4,4′-Dimethylbiphenyl; p,p'-BITOLYL; 4,4'-Dimethyldiphenyl; 4,4'-Dimethylbiphenyl; p,p′-二甲苯; 4,4′-二甲基联苯; 4,4'-二甲基联苯

Database IDs

• CAS Number: 613-33-2
• EC Number: 210-337-7
• MDL Number: MFCD00008545
• Beilstein Number: 1856053
• PubChem SID: 24893463; 162069062
• PubChem CID: 11941

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.647314
• LogD (pH = 7.4): 4.647314
• Log P: 4.647314
• Molar Refractivity: 61.2766 cm^3
• Polarizability: 25.046896 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 118-120 °C(lit.); 118-122°C
• Boiling Point: 295 °C(lit.); 295°C

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: 97%; 99%
• Linear Formula: CH3C6H4C6H4CH3

DETAILS

MP Biomedicals - 05205370

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D151203

Packaging
1 g in glass bottle