2,2-Dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;terephthalic acid

Base Information

• Chemical Name: 2,2-Dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;terephthalic acid
• CAS No.: 53808-40-5
• Molecular Formula: C19H32O9
• Molecular Weight: 404.45198
• Mol file: 53808-40-5.mol

Synonyms:53808-40-5;SCHEMBL11423003

Chemical Property of 2,2-Dimethylpropane-1,3-diol;2-ethyl-2-(hydroxymethyl)propane-1,3-diol;terephthalic acid

Chemical Property:

• Boiling Point: 392.4°Cat760mmHg
• Flash Point: 205.3°C
• PSA: 175.75000
• Density: g/cm³
• LogP: 0.43990
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 8
• Exact Mass: 404.20463259
• Heavy Atom Count: 28
• Complexity: 274

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CO)(CO)CO.CC(C)(CO)CO.C1=CC(=CC=C1C(=O)O)C(=O)O