3,7-Dimethyloct-6-EN-2-one

Base Information

• Chemical Name: 3,7-Dimethyloct-6-EN-2-one
• CAS No.: 504-37-0
• Molecular Formula: C10H18O
• Molecular Weight: 154.252
• DSSTox Substance ID: DTXSID80467172
• Nikkaji Number: J1.629.309A
• Mol file: 504-37-0.mol

Synonyms:3,7-DIMETHYLOCT-6-EN-2-ONE;504-37-0;6-Octen-2-one, 3,7-dimethyl-;3,7-Dimethyl-6-octene-2-one;SCHEMBL11869803;SSAUUPMMKRJNMJ-UHFFFAOYSA-;DTXSID80467172;InChI=1/C10H18O/c1-8(2)6-5-7-9(3)10(4)11/h6,9H,5,7H2,1-4H3

Chemical Property of 3,7-Dimethyloct-6-EN-2-one

Chemical Property:

• Boiling Point: 192-197 °C
• PSA: 17.07000
• Density: 1.2021 g/cm3(Temp: 25 °C)
• LogP: 2.95790
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 154.135765193
• Heavy Atom Count: 11
• Complexity: 152

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC=C(C)C)C(=O)C