Orthobutyric acid, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol

Base Information

• Chemical Name: Orthobutyric acid, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol
• CAS No.: 70636-94-1
• Molecular Formula: C11H20 O3
• Molecular Weight: 200.27
• DSSTox Substance ID: DTXSID70220910
• Wikidata: Q83098426
• Mol file: 70636-94-1.mol

Synonyms:70636-94-1;Orthobutyric acid, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol;2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-propyl-;SCHEMBL9521438;DTXSID70220910;LS-98471;2,6,7-Trioxabicyclo[2.2.2]octane, 4-(1-methylethyl)-1-propyl-

Chemical Property of Orthobutyric acid, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol

Chemical Property:

• Vapor Pressure: 0.11mmHg at 25°C
• Boiling Point: 228.5°C at 760 mmHg
• Flash Point: 74.1°C
• PSA: 27.69000
• Density: 1.044g/cm³
• LogP: 2.15970
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.14124450
• Heavy Atom Count: 14
• Complexity: 188

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC12OCC(CO1)(CO2)C(C)C