2,2-Dimethyl-5-(3-oxobutyl)-1,3-dioxane-4,6-dione

Base Information

• Chemical Name: 2,2-Dimethyl-5-(3-oxobutyl)-1,3-dioxane-4,6-dione
• CAS No.: 90734-82-0
• Molecular Formula: C10H14O5
• Molecular Weight: 214.21500
• DSSTox Substance ID: DTXSID60453038
• Nikkaji Number: J585.969G
• Wikidata: Q82274015
• Mol file: 90734-82-0.mol

Synonyms:2,2-dimethyl-5-(3-oxobutyl)-1,3-dioxane-4,6-dione;90734-82-0;1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(3-oxobutyl)-;DTXSID60453038

Chemical Property of 2,2-Dimethyl-5-(3-oxobutyl)-1,3-dioxane-4,6-dione

Chemical Property:

• Melting Point: 118 °C(Solv: ethyl ether (60-29-7); hexane (110-54-3))
• Boiling Point: 424.5±30.0 °C(Predicted)
• PSA: 69.67000
• Density: 1.141±0.06 g/cm3(Predicted)
• LogP: 0.80790
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 214.08412354
• Heavy Atom Count: 15
• Complexity: 285

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CCC1C(=O)OC(OC1=O)(C)C