1-methyl-2-(2-methylphenyl)benzene

• ChemBase ID: 110270
• Molecular Formular: C14H14
• Molecular Mass: 182.26096
• Monoisotopic Mass: 182.10955045
• SMILES: Cc1ccccc1c1ccccc1C
• Canonical SMILES: Cc1ccccc1c1ccccc1C
• InChI: InChI=1S/C14H14/c1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2/h3-10H,1-2H3
• InChIKey: ABMKWMASVFVTMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2-(2-methylphenyl)benzene
• IUPAC Traditional name: 1,1'-biphenyl, 2,2'-dimethyl-
• Synonyms: o,o′-Bitoluene; 2,2′-Dimethylbiphenyl; o,o'-BITOLYL; o,o′-二甲苯; 2,2′-二甲基联苯

Database IDs

• CAS Number: 605-39-0
• MDL Number: MFCD00048075
• PubChem SID: 162096382; 24871036
• PubChem CID: 11797

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: 25.04855 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 18°C
• Flash Point: 110 °C; 230 °F
• Density: 0.989 g/mL at 25 °C(lit.); 0.99 g/ml
• Refractive Index: n20/D 1.5745(lit.)

Safety Information

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

Product Information

• Purity: 97%
• Linear Formula: CH3C6H4C6H4CH3

DETAILS

MP Biomedicals - 05214357

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 474703

Packaging
10 mL in glass bottle