5-Methyl-3-butyltetrahydropyran-4-yl acetate

Base Information

• Chemical Name: 5-Methyl-3-butyltetrahydropyran-4-yl acetate
• CAS No.: 38285-49-3
• Molecular Formula: C12H22O3
• Molecular Weight: 214.34
• European Community (EC) Number: 253-863-2
• DSSTox Substance ID: DTXSID4052057
• Nikkaji Number: J53.895G
• Mol file: 38285-49-3.mol

Synonyms:5-methyl-3-butyltetrahydropyran-4-yl acetate

Chemical Property of 5-Methyl-3-butyltetrahydropyran-4-yl acetate

Chemical Property:

• Vapor Pressure: 0.00641mmHg at 25°C
• Refractive Index: 1.4410 (estimate)
• Boiling Point: 271.5°Cat760mmHg
• Flash Point: 108.4°C
• PSA: 35.53000
• Density: 0.97g/cm³
• LogP: 2.39080
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 214.15689456
• Heavy Atom Count: 15
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

2H-PYRAN-4-OL, 3-BUTYLTETRAHYDRO-5-METHYL:ACETATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC1COCC(C1OC(=O)C)C