5,7-Dimethyl-3,5,9-decatrien-2-one

Base Information

• Chemical Name: 5,7-Dimethyl-3,5,9-decatrien-2-one
• CAS No.: 111317-19-2
• Molecular Formula: C12H18O
• Molecular Weight: 178.27
• European Community (EC) Number: 631-213-2
• Mol file: 111317-19-2.mol

Synonyms:(3E,5E)-5,7-dimethyldeca-3,5,9-trien-2-one;111317-19-2;5,7-DIMETHYL-3,5,9-DECATRIEN-2-ONE, TECH ., 85;5,7-Dimethyl-3,5,9-decatrien-2-one;SCHEMBL1389581;AKOS006230503;5,7-DIMETHYL-3,5,9-DECATRIEN-2-ONE, TECH ., 85%

Chemical Property of 5,7-Dimethyl-3,5,9-decatrien-2-one

Chemical Property:

• Refractive Index: n20/D 1.5046(lit.)
• Boiling Point: 315.5 °C at 760 mmHg
• Flash Point: 114.4 °C
• PSA: 53.48000
• Density: 0.864 g/cm³
• LogP: -0.69890
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 234

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

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