(E)-1,3-bis(3-methylphenyl)but-2-en-1-one

Base Information

• Chemical Name: (E)-1,3-bis(3-methylphenyl)but-2-en-1-one
• CAS No.: 93876-99-4
• Molecular Formula: C18H18O
• Molecular Weight: 250.3349
• NSC Number: 405241
• DSSTox Substance ID: DTXSID50422112
• Wikidata: Q82233939
• Mol file: 93876-99-4.mol

Synonyms:NSC405241;93876-99-4;DTXSID50422112;NSC-405241

Chemical Property of (E)-1,3-bis(3-methylphenyl)but-2-en-1-one

Chemical Property:

• Vapor Pressure: 2.45E-06mmHg at 25°C
• Boiling Point: 391.5°C at 760 mmHg
• Flash Point: 169.7°C
• Density: 1.033g/cm³
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 250.135765193
• Heavy Atom Count: 19
• Complexity: 342

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(=CC(=O)C2=CC=CC(=C2)C)C
• Isomeric SMILES: CC1=CC(=CC=C1)/C(=C/C(=O)C2=CC=CC(=C2)C)/C