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

Base Information

• Chemical Name: Orthobutyric acid, cyclic ester with 2-butyl-2-(hydroxymethyl)-1,3-propanediol
• CAS No.: 70636-93-0
• Molecular Formula: C12H22 O3
• Molecular Weight: 214.3
• DSSTox Substance ID: DTXSID60220909
• Wikidata: Q83098424
• Mol file: 70636-93-0.mol

Synonyms:70636-93-0;Orthobutyric acid, cyclic ester with 2-butyl-2-(hydroxymethyl)-1,3-propanediol;2,6,7-Trioxabicyclo(2.2.2)octane, 4-butyl-1-propyl-;2,6,7-Trioxabicyclo[2.2.2]octane, 4-butyl-1-propyl-;DTXSID60220909;LS-98469

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

Chemical Property:

• Vapor Pressure: 0.029mmHg at 25°C
• Boiling Point: 253.5°C at 760 mmHg
• Flash Point: 83.2°C
• PSA: 27.69000
• Density: 1.019g/cm³
• LogP: 2.69390
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 214.15689456
• Heavy Atom Count: 15
• Complexity: 190

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC12COC(OC1)(OC2)CCC