Butyl 3-methylisoxazole-5-carboxylate

Base Information

• Chemical Name: Butyl 3-methylisoxazole-5-carboxylate
• CAS No.: 85153-59-9
• Molecular Formula: C9H13NO3
• Molecular Weight: 183.2044
• European Community (EC) Number: 285-841-3
• DSSTox Substance ID: DTXSID20234300
• Nikkaji Number: J309.844C
• Wikidata: Q83116048
• Mol file: 85153-59-9.mol

Synonyms:Butyl 3-methylisoxazole-5-carboxylate;85153-59-9;butyl 3-methyl-1,2-oxazole-5-carboxylate;EINECS 285-841-3;DTXSID20234300;3-Methyl-5-isoxazolecarboxylic acid butyl ester;5-Isoxazolecarboxylic acid, 3-methyl-, butyl ester

Chemical Property of Butyl 3-methylisoxazole-5-carboxylate

Chemical Property:

• Vapor Pressure: 0.005mmHg at 25°C
• Boiling Point: 275.7°Cat760mmHg
• Flash Point: 120.6°C
• PSA: 52.33000
• Density: 1.083g/cm³
• LogP: 1.93990
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 183.08954328
• Heavy Atom Count: 13
• Complexity: 172

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C1=CC(=NO1)C