1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)methyl]benzene

• ChemBase ID: 147059
• Molecular Formular: C19H24
• Molecular Mass: 252.39386
• Monoisotopic Mass: 252.18780077
• SMILES: Cc1cc(c(c(c1)C)Cc1c(cc(cc1C)C)C)C
• Canonical SMILES: Cc1cc(C)cc(c1Cc1c(C)cc(cc1C)C)C
• InChI: InChI=1S/C19H24/c1-12-7-14(3)18(15(4)8-12)11-19-16(5)9-13(2)10-17(19)6/h7-10H,11H2,1-6H3
• InChIKey: ZQYQPPLKPFBKLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)methyl]benzene
• IUPAC Traditional name: 1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)methyl]benzene
• Synonyms: Dimesitylmethane; Bis(2,4,6-trimethylphenyl)methane; 2,2'-Methylenedimesitylene; 二荚基甲烷; 二(2,4,6-三甲基苯)甲烷

Database IDs

• CAS Number: 733-07-3
• EC Number: 211-991-6
• MDL Number: MFCD00014913
• Beilstein Number: 2053472
• PubChem SID: 162241251; 24865332
• PubChem CID: 69771

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.1455684
• LogD (pH = 7.4): 7.1455684
• Log P: 7.1455684
• Molar Refractivity: 86.0424 cm^3
• Polarizability: 32.391838 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 129-131°C; 132-135 °C(lit.)

Safety Information

• German water hazard class: 3
• TSCA Listed: 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95%; 98+%
• Linear Formula: [2,4,6-(CH3)3C6H2]2CH2

DETAILS

Sigma Aldrich - 405787

Packaging
10 g in glass bottle