propane-1,2-diol (CHEBI:16997)

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ChEBI Name	propane-1,2-diol

ChEBI ID	CHEBI:16997

Definition	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 (−59°C) and high-boiling (188°C) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:8469, CHEBI:14899

Supplier Information	ChemicalBook:CB8485612, eMolecules:479619

Download	Molfile XML SDF

Wikipedia	License
Propylene glycol (IUPAC name: propane-1,2-diol) is a viscous, colorless liquid. It is almost odorless and has a faintly sweet taste. Its chemical formula is CH3CH(OH)CH2OH. As it contains two alcohol groups, it is classified as a diol. An aliphatic diol may also be called a glycol. It is miscible with a broad range of solvents, including water, acetone, and chloroform. In general, glycols are non-irritating and have very low volatility. For certain uses as a food additive, propylene glycol is considered as GRAS by the US Food and Drug Administration, and is approved for food manufacturing. In the European Union, it has E-number E1520 for food applications. For cosmetics and pharmacology, the number is E490. Propylene glycol is also present in propylene glycol alginate, which is known as E405. Propylene glycol is approved and used as a vehicle for topical, oral, and some intravenous pharmaceutical preparations in the US and Europe.
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Formula

C3H8O2

Net Charge

Average Mass

76.09442

Monoisotopic Mass

76.05243

InChI

InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3

InChIKey

DNIAPMSPPWPWGF-UHFFFAOYSA-N

SMILES

CC(O)CO

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Source: BioModels - MODEL1507180067 See: PubMed

Roles Classification
Chemical Role(s):	protic solvent A polar solvent that is capable of acting as a hydron (proton) donor.

Biological Role(s):	mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.

Application(s):	protic solvent A polar solvent that is capable of acting as a hydron (proton) donor.

ChEBI Ontology
Outgoing	propane-1,2-diol (CHEBI:16997) has role allergen (CHEBI:50904) propane-1,2-diol (CHEBI:16997) has role human xenobiotic metabolite (CHEBI:76967) propane-1,2-diol (CHEBI:16997) has role mouse metabolite (CHEBI:75771) propane-1,2-diol (CHEBI:16997) has role protic solvent (CHEBI:48356) propane-1,2-diol (CHEBI:16997) is a glycol (CHEBI:13643) propane-1,2-diol (CHEBI:16997) is a propane-1,2-diols (CHEBI:26284)

Incoming	2-hydroxypropyl dihydrogen phosphate (CHEBI:18025) has functional parent propane-1,2-diol (CHEBI:16997) 2-hydroxypropyl methacrylate (CHEBI:53440) has functional parent propane-1,2-diol (CHEBI:16997) (R)-propane-1,2-diol (CHEBI:28972) is a propane-1,2-diol (CHEBI:16997) (S)-propane-1,2-diol (CHEBI:29002) is a propane-1,2-diol (CHEBI:16997)

IUPAC Name

propane-1,2-diol

Citations

Last Modified

22 February 2017