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

Base Information

• Chemical Name: Orthovaleric acid, cyclic ester with 2-(tert-butyl)-2-(hydroxymethyl)-1,3-propanediol
• CAS No.: 70636-99-6
• Molecular Formula: C13H24 O3
• Molecular Weight: 228.33
• DSSTox Substance ID: DTXSID70220915
• Wikidata: Q83098437
• Mol file: 70636-99-6.mol

Synonyms:70636-99-6;Orthovaleric acid, cyclic ester with 2-(tert-butyl)-2-(hydroxymethyl)-1,3-propanediol;1-Butyl-4-tert-butylbicycloorthocarboxylate;2,6,7-Trioxabicyclo(2.2.2)octane, 1-butyl-4-tert-butyl-;DTXSID70220915

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

Chemical Property:

• Vapor Pressure: 0.0196mmHg at 25°C
• Boiling Point: 260.7°C at 760 mmHg
• Flash Point: 85.7°C
• PSA: 27.69000
• Density: 1.026g/cm³
• LogP: 2.93990
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 228.17254462
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC12OCC(CO1)(CO2)C(C)(C)C

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