4,4,8-Trimethyl-5,7-decadien-2-one

Base Information

• Chemical Name: 4,4,8-Trimethyl-5,7-decadien-2-one
• CAS No.: 67801-41-6
• Molecular Formula: C13H22O
• Molecular Weight: 194.3132
• European Community (EC) Number: 267-161-9
• Nikkaji Number: J317.163I
• Mol file: 67801-41-6.mol

Synonyms:4,4,8-Trimethyl-5,7-decadien-2-one;EINECS 267-161-9;4,4,8 - trimethyl - 5,7 - decadien - 2 - one

Chemical Property of 4,4,8-Trimethyl-5,7-decadien-2-one

Chemical Property:

• Vapor Pressure: 0.00582mmHg at 25°C
• Refractive Index: 1.459
• Boiling Point: 273.2 °C at 760 mmHg
• Flash Point: 98.1 °C
• PSA: 17.07000
• Density: 0.854 g/cm³
• LogP: 3.90420
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 194.167065321
• Heavy Atom Count: 14
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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