Diethyl 3-methylhexanedioate

Base Information

• Chemical Name: Diethyl 3-methylhexanedioate
• CAS No.: 55877-01-5
• Molecular Formula: C11H20O4
• Molecular Weight: 216.27400
• DSSTox Substance ID: DTXSID90495587
• Mol file: 55877-01-5.mol

Synonyms:Diethyl 3-methylhexanedioate;55877-01-5;DIETHYL 3-METHYLADIPATE;ethyl 3-methyl adipate;Diethyl3-methylhexanedioate;SCHEMBL19615380;DTXSID90495587

Chemical Property of Diethyl 3-methylhexanedioate

Chemical Property:

• Refractive Index: 1.4335 (estimate)
• Boiling Point: 258°C (estimate)
• PSA: 52.60000
• Density: 0.9948
• LogP: 1.91900
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 216.13615911
• Heavy Atom Count: 15
• Complexity: 201

Purity/Quality:

Diethyl3-methylhexanedioate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC(C)CC(=O)OCC