Molecular Identity
Propylene Glycol
propane-1,2-diol
PubChem CID: 1030
Propane-1,2-diol is the simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (59C) and high-boiling (188C) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze. It has a role as a protic solvent, an allergen, a mouse metabolite and a human xenobiotic metabolite. It is a glycol and a member of propane-1,2-diols.
2D Structure
Properties
C3H8O2
Molecular Formula
76.09
Molecular Weight
g/mol
76.0524
Exact Mass
Da
-0.9
XLogP
Drug-like (Lipinski: < 5)
40.5
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
2
H-Bond Acceptors
20
Complexity
SMILES
Canonical SMILES
SMILES: CC(CO)OIsomeric SMILES
SMILES: CC(CO)OSynonyms(20)
propylene glycol1,2-propanediol57-55-6propane-1,2-diol1,2-Propylene glycol1,2-dihydroxypropane2-HydroxypropanolIsopropylene glycolDowfrostSirleneMethylethyl glycolMethylethylene glycolMonopropylene glycolTrimethyl glycolPropylene Glycol USP
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Propylene Glycol
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