1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl octanoate

Base Information

• Chemical Name: 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl octanoate
• CAS No.: 71648-35-6
• Molecular Formula: C18H32 O2
• Molecular Weight: 280.44548
• European Community (EC) Number: 275-764-3
• DSSTox Substance ID: DTXSID30992227
• Nikkaji Number: J298.993J
• Mol file: 71648-35-6.mol

Synonyms:71648-35-6;EINECS 275-764-3;1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl octanoate;DTXSID30992227;UPGAHZUAKBEVCT-UHFFFAOYSA-N;2-(4-METHYLCYCLOHEX-3-EN-1-YL)PROPAN-2-YL OCTANOATE;NS00061696

Chemical Property of 1-Methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl octanoate

Chemical Property:

• Vapor Pressure: 6.38E-05mmHg at 25°C
• Boiling Point: 344.9°C at 760 mmHg
• Flash Point: 93.6°C
• PSA: 26.30000
• Density: 0.925g/cm³
• LogP: 5.41510
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 280.240230259
• Heavy Atom Count: 20
• Complexity: 328

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCC(=O)OC(C)(C)C1CCC(=CC1)C