3-Chloro-4,4-dimethoxybutan-2-one

Base Information

• Chemical Name: 3-Chloro-4,4-dimethoxybutan-2-one
• CAS No.: 91157-98-1
• Molecular Formula: C6H11ClO3
• Molecular Weight: 166.60300
• DSSTox Substance ID: DTXSID40575186
• Nikkaji Number: J2.889.258F
• Mol file: 91157-98-1.mol

Synonyms:3-Chloro-4,4-dimethoxybutan-2-one;91157-98-1;3-Chloro-4,4-dimethoxy-2-butanone;SCHEMBL4812811;DTXSID40575186;YHWZRMDDQITHEN-UHFFFAOYSA-N;2-Chloro-1,1-dimethoxy-3-butanone;3-Chloro-4,4-dimethoxy-butan-2-one;methyl 1-chloro-2,2-di-methoxyethyl ketone

Chemical Property of 3-Chloro-4,4-dimethoxybutan-2-one

Chemical Property:

• Boiling Point: 62-64 °C(Press: 20 Torr)
• PSA: 35.53000
• Density: 1.113±0.06 g/cm3(Predicted)
• LogP: 0.80170
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 166.0396719
• Heavy Atom Count: 10
• Complexity: 112

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(C(OC)OC)Cl