1,3-Propanediol, 2-ethyl-2-isobutyl-

Base Information

• Chemical Name: 1,3-Propanediol, 2-ethyl-2-isobutyl-
• CAS No.: 25450-92-4
• Molecular Formula: C9H20 O2
• Molecular Weight: 160.2539
• Hs Code.: 2905399090
• DSSTox Substance ID: DTXSID40180113
• Nikkaji Number: J50.815B
• Wikidata: Q83050613
• Mol file: 25450-92-4.mol

Synonyms:2-Ethyl-2-isobutyl-1,3-propanediol;25450-92-4;1,3-Propanediol, 2-ethyl-2-isobutyl-;BRN 1847949;2-ethyl-2-(2-methylpropyl)propane-1,3-diol;SCHEMBL147710;DTXSID40180113;AKOS018004825;LS-120416;EN300-7723596

Chemical Property of 1,3-Propanediol, 2-ethyl-2-isobutyl-

Chemical Property:

• Vapor Pressure: 0.00681mmHg at 25°C
• Boiling Point: 240°Cat760mmHg
• Flash Point: 103.7°C
• PSA: 40.46000
• Density: 0.928g/cm³
• LogP: 1.41350
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 160.146329876
• Heavy Atom Count: 11
• Complexity: 95.7

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(CC(C)C)(CO)CO

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