4-(Ethylthio)-3,7,7-trimethylbicyclo(4.1.0)heptan-3-ol

Base Information

• Chemical Name: 4-(Ethylthio)-3,7,7-trimethylbicyclo(4.1.0)heptan-3-ol
• CAS No.: 85567-25-5
• Molecular Formula: C12H22OS
• Molecular Weight: 214.36748
• European Community (EC) Number: 287-738-9
• DSSTox Substance ID: DTXSID601006134
• Nikkaji Number: J310.693D
• Mol file: 85567-25-5.mol

Synonyms:85567-25-5;4-(Ethylthio)-3,7,7-trimethylbicyclo(4.1.0)heptan-3-ol;EINECS 287-738-9;DTXSID601006134;4-(ETHYLSULFANYL)-3,7,7-TRIMETHYLBICYCLO[4.1.0]HEPTAN-3-OL

Chemical Property of 4-(Ethylthio)-3,7,7-trimethylbicyclo(4.1.0)heptan-3-ol

Chemical Property:

• Vapor Pressure: 0.00016mmHg at 25°C
• Boiling Point: 295.2°C at 760 mmHg
• PKA: 14.83±0.60(Predicted)
• Flash Point: 143.9°C
• PSA: 45.53000
• Density: 1.05g/cm³
• LogP: 2.92510
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 214.13913649
• Heavy Atom Count: 14
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1CC2C(C2(C)C)CC1(C)O

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