2-tert-Pentylcyclohexyl acetate

Base Information

• Chemical Name: 2-tert-Pentylcyclohexyl acetate
• CAS No.: 67874-72-0
• Molecular Formula: C13H24O2
• Molecular Weight: 212.332
• European Community (EC) Number: 267-500-0
• NSC Number: 21163
• UNII: 4SMO7U026F
• DSSTox Substance ID: DTXSID0044573
• Nikkaji Number: J287.585C
• Metabolomics Workbench ID: 45074
• ChEMBL ID: CHEMBL3186045
• Mol file: 67874-72-0.mol

Synonyms:amylcyclohexyl acetate;conifer acetate;coniferan

Chemical Property of 2-tert-Pentylcyclohexyl acetate

Chemical Property:

• Appearance/Colour: colorless liquid
• Vapor Pressure: 0.0398mmHg at 25°C
• Refractive Index: 1.452
• Boiling Point: 239.6 °C at 760 mmHg
• Flash Point: 102.8 °C
• PSA: 26.30000
• Density: 0.92 g/cm³
• LogP: 3.54450
• Water Solubility.: 7.6mg/L at 24℃
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 212.177630004
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

99.9% ^*data from raw suppliers

2-(TERT.-PENTYL)-CYCLOHEXYL ACETATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC(C)(C)C1CCCCC1OC(=O)C