1-(3,5-dimethylphenyl)-3,5-dimethylbenzene

• ChemBase ID: 61947
• Molecular Formular: C16H18
• Molecular Mass: 210.31412
• Monoisotopic Mass: 210.14085058
• SMILES: c1(cc(cc(c1)C)C)c1cc(cc(c1)C)C
• Canonical SMILES: Cc1cc(cc(c1)C)c1cc(C)cc(c1)C
• InChI: InChI=1S/C16H18/c1-11-5-12(2)8-15(7-11)16-9-13(3)6-14(4)10-16/h5-10H,1-4H3
• InChIKey: CMZYGFLOKOQMKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,5-dimethylphenyl)-3,5-dimethylbenzene
• IUPAC Traditional name: 1-(3,5-dimethylphenyl)-3,5-dimethylbenzene
• Synonyms: 3,3',5,5'-Tetramethylbiphenyl; 3,3',5,5'-Tetramethylbiphenyl; 3,3',5,5'-四甲基联苯

Database IDs

• CAS Number: 25570-02-9
• MDL Number: MFCD00051910
• Beilstein Number: 1935931
• PubChem SID: 162027686
• PubChem CID: 520212

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.6741567
• LogD (pH = 7.4): 5.6741567
• Log P: 5.6741567
• Molar Refractivity: 71.359 cm^3
• Polarizability: 28.563251 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 47-49°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false; 否

Product Information

• Purity: 95%; 97+%