2-(1-Methylbutyl)-1,3-propanediol

Base Information

• Chemical Name: 2-(1-Methylbutyl)-1,3-propanediol
• CAS No.: 22131-29-9
• Molecular Formula: C8H18 O2
• Molecular Weight: 146.2273
• DSSTox Substance ID: DTXSID20944770
• Nikkaji Number: J50.857H
• Mol file: 22131-29-9.mol

Synonyms:22131-29-9;2-(pentan-2-yl)propane-1,3-diol;2-(1-Methylbutyl)-1,3-propanediol;BRN 1847384;1,3-Propanediol, 2-(1-methylbutyl)-;SCHEMBL8063877;DTXSID20944770

Chemical Property of 2-(1-Methylbutyl)-1,3-propanediol

Chemical Property:

• Vapor Pressure: 0.00558mmHg at 25°C
• Boiling Point: 243°Cat760mmHg
• Flash Point: 126°C
• PSA: 40.46000
• Density: 0.935g/cm³
• LogP: 1.02340
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 146.130679813
• Heavy Atom Count: 10
• Complexity: 69.7

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)C(CO)CO