EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:173692 - Propyleneglycol diacetate

Default Structure
ChEBI IDCHEBI:173692
ChEBI NamePropyleneglycol diacetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H12O4
Net Charge0
Average Mass160.169
Monoisotopic Mass160.07356
SMILESCC(=O)OCC(C)OC(C)=O
InChIInChI=1S/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3
InChIKeyMLHOXUWWKVQEJB-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Propyleneglycol diacetate (CHEBI:173692) is a dicarboxylic acid (CHEBI:35692)
IUPAC Name 
2-acetyloxypropyl acetate
Manual XrefsDatabases
11698ChemSpider
D05635KEGG DRUG
HMDB0041605HMDB
Registry NumbersSources
CAS:623-84-7ChemIDplus