CHEBI:16997 - propane-1,2-diol

Main ChEBI Ontology Automatic Xrefs
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
Save molfile Download Molfile
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C3H8O2
Net Charge 0
Average Mass 76.09442
InChI InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
InChIKey DNIAPMSPPWPWGF-UHFFFAOYSA-N
SMILES CC(O)CO
Roles Classification
Chemical Role(s): protic solvent
A polar solvent that is capable of acting as a hydron (proton) donor.
Biological Role(s): allergen
A chemical compound 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.
View more via ChEBI Ontology
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 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
Synonyms Sources
1,2-dihydroxypropane ChemIDplus
1,2-Propanediol KEGG COMPOUND
1,2-Propylenglykol ChemIDplus
2-hydroxypropanol ChemIDplus
α-propyleneglycol ChemIDplus
CH3CH(OH)CH2OH ChEBI
HOCH2CH(OH)CH3 ChEBI
HOCH2CH(OH)Me ChEBI
isopropylene glycol ChemIDplus
MeCH(OH)CH2OH ChEBI
methyl glycol ChEBI
methylethyl glycol ChemIDplus
methylethylene glycol ChemIDplus
monopropylene glycol ChemIDplus
PPD ChEBI
Propane-1,2-diol KEGG COMPOUND
Propylene glycol KEGG COMPOUND
Database Links Databases
C00007410 KNApSAcK
C00583 KEGG COMPOUND
D00078 KEGG DRUG
DB01839 DrugBank
HMDB01881 HMDB
Propylene_glycol Wikipedia
View more database links
Registry Numbers Types Sources
1340498 Reaxys Registry Number Reaxys
57-55-6 CAS Registry Number KEGG COMPOUND
57-55-6 CAS Registry Number NIST Chemistry WebBook
57-55-6 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
15665701 PubMed citation CiteXplore
16078503 PubMed citation CiteXplore
18346395 PubMed citation CiteXplore
18845115 PubMed citation CiteXplore
21616561 PubMed citation CiteXplore
Last Modified
28 July 2014