1-(4,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-one

Base Information

• Chemical Name: 1-(4,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-one
• CAS No.: 84824-81-7
• Molecular Formula: C13H20 O
• Molecular Weight: 192.2973
• European Community (EC) Number: 284-233-5
• Nikkaji Number: J309.488J
• Mol file: 84824-81-7.mol

Synonyms:84824-81-7;1-(4,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-one;EINECS 284-233-5

Chemical Property of 1-(4,6,6-Trimethyl-3-cyclohexen-1-yl)-2-buten-1-one

Chemical Property:

• Vapor Pressure: 0.0083mmHg at 25°C
• Boiling Point: 267.1°C at 760 mmHg
• Flash Point: 105.7°C
• PSA: 17.07000
• Density: 0.898g/cm³
• LogP: 3.51410
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 192.151415257
• Heavy Atom Count: 14
• Complexity: 282

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC(=O)C1CC=C(CC1(C)C)C
• Isomeric SMILES: C/C=C/C(=O)C1CC=C(CC1(C)C)C