Methyl 2-cyano-2-ethyl-3-methylvalerate

Base Information

• Chemical Name: Methyl 2-cyano-2-ethyl-3-methylvalerate
• CAS No.: 71735-23-4
• Molecular Formula: C10H17 N O2
• Molecular Weight: 183.24748
• European Community (EC) Number: 275-935-2
• UNII: HU5ZGD55DV
• DSSTox Substance ID: DTXSID20992357
• Nikkaji Number: J295.069C
• Mol file: 71735-23-4.mol

Synonyms:Methyl 2-cyano-2-ethyl-3-methylvalerate;71735-23-4;methyl 2-cyano-2-ethyl-3-methylpentanoate;HU5ZGD55DV;EINECS 275-935-2;UNII-HU5ZGD55DV;DTXSID20992357;2-Cyano-2-ethyl-3-methylpentanoic acid methyl ester;Pentanoic acid,2-cyano-2-ethyl-3-methyl-,methyl ester;PENTANOIC ACID, 2-CYANO-2-ETHYL-3-METHYL-, METHYL ESTER

Chemical Property of Methyl 2-cyano-2-ethyl-3-methylvalerate

Chemical Property:

• Vapor Pressure: 0.13mmHg at 25°C
• Boiling Point: 217.8°C at 760 mmHg
• Flash Point: 92.1°C
• PSA: 50.09000
• Density: 0.959g/cm³
• LogP: 2.12548
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 183.125928785
• Heavy Atom Count: 13
• Complexity: 228

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(CC)(C#N)C(=O)OC

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