2-Methyl-3-(methylthio)-5-(1-methylvinyl)cyclohexyl acetate

Base Information

• Chemical Name: 2-Methyl-3-(methylthio)-5-(1-methylvinyl)cyclohexyl acetate
• CAS No.: 85098-94-8
• Molecular Formula: C13H22 O2 S
• Molecular Weight: 242.37758
• European Community (EC) Number: 285-448-7
• DSSTox Substance ID: DTXSID301005470
• Nikkaji Number: J309.695E
• Mol file: 85098-94-8.mol

Synonyms:85098-94-8;EINECS 285-448-7;2-Methyl-3-(methylthio)-5-(1-methylvinyl)cyclohexyl acetate;FLWPMNFORXDCSJ-UHFFFAOYSA-N;DTXSID301005470;NS00058429;2-METHYL-3-(METHYLSULFANYL)-5-(PROP-1-EN-2-YL)CYCLOHEXYL ACETATE

Chemical Property of 2-Methyl-3-(methylthio)-5-(1-methylvinyl)cyclohexyl acetate

Chemical Property:

• Vapor Pressure: 0.000415mmHg at 25°C
• Boiling Point: 316.3°C at 760 mmHg
• Flash Point: 136.4°C
• PSA: 51.60000
• Density: 1.01g/cm³
• LogP: 3.27190
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 242.13405111
• Heavy Atom Count: 16
• Complexity: 275

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(CC(CC1SC)C(=C)C)OC(=O)C