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

Base Information

• Chemical Name: Orthoacetic acid, cyclic ester with 2-(tert-butyl)-2-(hydroxymethyl)-1,3-propanediol
• CAS No.: 70636-88-3
• Molecular Formula: C10H18 O3
• Molecular Weight: 186.25
• DSSTox Substance ID: DTXSID20220905
• Wikidata: Q83098417
• Mol file: 70636-88-3.mol

Synonyms:70636-88-3;Orthoacetic acid, cyclic ester with 2-(tert-butyl)-2-(hydroxymethyl)-1,3-propanediol;1-Methyl-4-tert-butylbicycloorthocarboxylate;2,6,7-Trioxabicyclo(2.2.2)octane, 4-tert-butyl-1-methyl-;DTXSID20220905

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

Chemical Property:

• Vapor Pressure: 0.449mmHg at 25°C
• Boiling Point: 200.9°C at 760 mmHg
• Flash Point: 64.2°C
• PSA: 27.69000
• Density: 1.083g/cm³
• LogP: 1.76960
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 186.125594432
• Heavy Atom Count: 13
• Complexity: 192

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12OCC(CO1)(CO2)C(C)(C)C