loading...| Preferred Name |
propane-1,2-diol |
|
| Synonyms |
Propane-1,2-diol propane-1,2-diol isopropylene glycol HOCH2CH(OH)Me 1,2-dihydroxypropane CH3CH(OH)CH2OH methyl glycol HOCH2CH(OH)CH3 Propylene glycol 1,2-Propanediol methylethyl glycol methylethylene glycol alpha-propyleneglycol 2-hydroxypropanol monopropylene glycol 1,2-Propylenglykol MeCH(OH)CH2OH PPD |
|
| Definitions |
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 (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_16997 |
|
| charge |
0 |
|
| database_cross_reference |
KEGG:D00078 PMID:18845115 PMID:21616561 KEGG:C00583 LINCS:LSM-36856 Wikipedia:Propylene_glycol PMID:16078503 HMDB:HMDB0001881 CAS:57-55-6 Reaxys:1340498 PMID:18346395 PMID:15665701 Drug_Central:4024 DrugBank:DB01839 KNApSAcK:C00007410 PPDB:1304 VSDB:1304 |
|
| 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 (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze. |
|
| formula |
C3H8O2 |
|
| has_alternative_id |
CHEBI:14899 CHEBI:8469 |
|
| has_exact_synonym |
Propane-1,2-diol propane-1,2-diol |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
isopropylene glycol HOCH2CH(OH)Me 1,2-dihydroxypropane CH3CH(OH)CH2OH methyl glycol HOCH2CH(OH)CH3 Propylene glycol 1,2-Propanediol methylethyl glycol methylethylene glycol alpha-propyleneglycol 2-hydroxypropanol monopropylene glycol 1,2-Propylenglykol MeCH(OH)CH2OH PPD |
|
| id |
CHEBI:16997 |
|
| in_subset | ||
| inchi |
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3 |
|
| inchikey |
DNIAPMSPPWPWGF-UHFFFAOYSA-N |
|
| label |
propane-1,2-diol |
|
| mass |
76.09442 |
|
| monoisotopicmass |
76.05243 |
|
| notation |
CHEBI:16997 |
|
| prefLabel |
propane-1,2-diol |
|
| RO_0000087 |
http://purl.obolibrary.org/obo/CHEBI_50904 http://purl.obolibrary.org/obo/CHEBI_75771 |
|
| smiles |
CC(O)CO |
|
| subClassOf |