4-Cyclobutylbut-3-en-2-one

Base Information

• Chemical Name: 4-Cyclobutylbut-3-en-2-one
• CAS No.: 98602-42-7
• Molecular Formula: C8H12 O
• Molecular Weight: 124.18028
• Hs Code.: 2914299000
• DSSTox Substance ID: DTXSID40560850
• Wikidata: Q82444466
• Mol file: 98602-42-7.mol

Synonyms:4-Cyclobutylbut-3-en-2-one;98602-42-7;(E)-4-cyclobutylbut-3-en-2-one;130146-27-9;(3E)-4-cyclobutylbut-3-en-2-one;SCHEMBL10615509;DTXSID40560850;3-Buten-2-one,4-cyclobutyl-,(E)-(9ci);EN300-1838654

Chemical Property of 4-Cyclobutylbut-3-en-2-one

Chemical Property:

• Vapor Pressure: 0.501mmHg at 25°C
• Refractive Index: 1.558
• Boiling Point: 191.946°C at 760 mmHg
• Flash Point: 67.664°C
• PSA: 17.07000
• Density: 1.031g/cm³
• LogP: 1.93170
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 124.088815002
• Heavy Atom Count: 9
• Complexity: 132

Purity/Quality:

4-Cyclobutylbut-3-en-2-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C=CC1CCC1
• Isomeric SMILES: CC(=O)/C=C/C1CCC1