2-Methyl-2-(1-methylbutyl)-1,3-propanediol

Base Information

• Chemical Name: 2-Methyl-2-(1-methylbutyl)-1,3-propanediol
• CAS No.: 25462-49-1
• Molecular Formula: C9H20 O2
• Molecular Weight: 160.2539
• DSSTox Substance ID: DTXSID40948356
• Nikkaji Number: J50.859D
• Mol file: 25462-49-1.mol

Synonyms:25462-49-1;2-Methyl-2-(1-methylbutyl)-1,3-propanediol;BRN 1847811;2-methyl-2-(pentan-2-yl)propane-1,3-diol;1,3-Propanediol, 2-methyl-2-(1-methylbutyl)-;DTXSID40948356

Chemical Property of 2-Methyl-2-(1-methylbutyl)-1,3-propanediol

Chemical Property:

• Vapor Pressure: 0.00631mmHg at 25°C
• Boiling Point: 241.1°Cat760mmHg
• Flash Point: 104.5°C
• PSA: 40.46000
• Density: 0.928g/cm³
• LogP: 1.41350
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 160.146329876
• Heavy Atom Count: 11
• Complexity: 97.7

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)C(C)(CO)CO