1-[4-(2,3-Dihydroxypropoxy)phenyl]butan-1-one

Base Information

• Chemical Name: 1-[4-(2,3-Dihydroxypropoxy)phenyl]butan-1-one
• CAS No.: 63834-66-2
• Molecular Formula: C13H18O4
• Molecular Weight: 238.28
• DSSTox Substance ID: DTXSID30980462
• Nikkaji Number: J90.882G
• Mol file: 63834-66-2.mol

Synonyms:63834-66-2;1-[4-(2,3-dihydroxypropoxy)phenyl]butan-1-one;3-(p-Butyrylphenoxy)-1,2-propanidiol;1,2-Propanediol, 3-(p-butyrylphenoxy)-;DTXSID30980462

Chemical Property of 1-[4-(2,3-Dihydroxypropoxy)phenyl]butan-1-one

Chemical Property:

• Vapor Pressure: 3.64E-08mmHg at 25°C
• Boiling Point: 430.2°C at 760 mmHg
• PKA: 13.39±0.20(Predicted)
• Flash Point: 163.1°C
• PSA: 66.76000
• Density: 1.154g/cm³
• LogP: 1.40140
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 238.12050905
• Heavy Atom Count: 17
• Complexity: 222

Purity/Quality:

99%min ^*data from raw suppliers

3-(4-BUTYRYLPHENOXY)-1,2-PROPANEDIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C1=CC=C(C=C1)OCC(CO)O