4,4-Dimethylbenzil

• CAS: 3457-48-5
• Catalog Number: ACM3457485
• Category: Polymer/Macromolecule
• Molecular Weight: 238.28
• Molecular Formula: C₁₆H₁₄O₂
• Synonyms: 1,2-Bis(4-methylphenyl)-1,2-ethanedione;1,2-Di-p-tolyl-ethane-1,2-dione;di-p-tolylethanedione;Ethanedione, bis(4-methylphenyl)-;Ethanedione,bis(4-methylphenyl)-;LABOTEST-BB LT00159323;4,4-DIMETHYLDIBENZOYL;4,4-DIMETHYLBENZIL
• IUPAC Name: 1,2-bis(4-methylphenyl)ethane-1,2-dione
• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C
• InChI Key: BCWCEHMHCDCJAD-UHFFFAOYSA-N
• Boiling Point: 211ºC (7 mmHg) ,399.7ºC at 760 mmHg
• Melting Point: 102-105ºC
• Flash Point: 168.6ºC
• Density: 1.119 g/cm³
• Appearance: yellow crystalline powder.
• EC Number: 222-388-2
• Exact Mass: 238.09900
• Hazard Statements: Xi
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Safety Description: S24/25
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 4,4-Dimethylbenzil?

The molecular formula of 4,4-Dimethylbenzil is C16H14O2.

What is the molecular weight of 4,4-Dimethylbenzil?

The molecular weight of 4,4-Dimethylbenzil is 238.28 g/mol.

What is the IUPAC name of 4,4-Dimethylbenzil?

The IUPAC name of 4,4-Dimethylbenzil is 1,2-bis(4-methylphenyl)ethane-1,2-dione.

What is the InChI of 4,4-Dimethylbenzil?

The InChI of 4,4-Dimethylbenzil is InChI=1S/C16H14O2/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3.

What is the InChIKey of 4,4-Dimethylbenzil?

The InChIKey of 4,4-Dimethylbenzil is BCWCEHMHCDCJAD-UHFFFAOYSA-N.

What is the canonical SMILES of 4,4-Dimethylbenzil?

The canonical SMILES of 4,4-Dimethylbenzil is CC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C.

What is the CAS number of 4,4-Dimethylbenzil?

The CAS number of 4,4-Dimethylbenzil is 3457-48-5.

What is the EC number of 4,4-Dimethylbenzil?

The EC number of 4,4-Dimethylbenzil is 222-388-2.

What is the ChEMBL ID of 4,4-Dimethylbenzil?

The ChEMBL ID of 4,4-Dimethylbenzil is CHEMBL192625.

What is the XLogP3 value of 4,4-Dimethylbenzil?

The XLogP3 value of 4,4-Dimethylbenzil is 4.1.