4-tert-Pentylcyclohexyl acetate

Base Information

• Chemical Name: 4-tert-Pentylcyclohexyl acetate
• CAS No.: 5441-56-5
• Molecular Formula: C13H24 O2
• Molecular Weight: 212.32846
• Hs Code.: 2915390090
• European Community (EC) Number: 226-631-3
• NSC Number: 21166
• DSSTox Substance ID: DTXSID10863542
• Nikkaji Number: J210.480F
• Mol file: 5441-56-5.mol

Synonyms:4-tert-Pentylcyclohexyl acetate;5441-56-5;4-tert-Amylcyclohexylacetate;4-(1,1-Dimethyl-1-propyl)cyclohexyl acetate;[4-(2-methylbutan-2-yl)cyclohexyl] acetate;Cyclohexanol, 4-(1,1-dimethylpropyl)-, acetate;Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-acetate;EINECS 226-631-3;NSC 21166;SCHEMBL113594;4-tert.-pentylcyclohexyl acetate;4-tert-Pentylcyclohexanol acetate;DTXSID10863542;NSC21166;NSC-21166

Chemical Property of 4-tert-Pentylcyclohexyl acetate

Chemical Property:

• Vapor Pressure: 2.39E-09mmHg at 25°C
• Boiling Point: 239.6°Cat760mmHg
• Flash Point: 102.8°C
• PSA: 26.30000
• Density: 0.92g/cm³
• LogP: 3.54450
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 212.177630004
• Heavy Atom Count: 15
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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