Propylene glycol diacetateProduct ingredient for Propylene glycol
- Name
- Propylene glycol diacetate
- Drug Entry
- Propylene glycol
A clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations.
- Accession Number
- DBSALT003502
- Structure
Structure for Propylene glycol diacetate (DBSALT003502)
- Synonyms
- (±)-1,2-DIACETOXYPROPANE / 1,2-PROPYLENE DIACETATE / PGDA
- UNII
- 5Z492UNF9O
- CAS Number
- 623-84-7
- Weight
- Average: 160.169
Monoisotopic: 160.073558866 - Chemical Formula
- C7H12O4
- InChI Key
- MLHOXUWWKVQEJB-UHFFFAOYSA-N
- InChI
- InChI=1S/C7H12O4/c1-5(11-7(3)9)4-10-6(2)8/h5H,4H2,1-3H3
- IUPAC Name
- 1-(acetyloxy)propan-2-yl acetate
- SMILES
- CC(COC(C)=O)OC(C)=O
- External Links
- Human Metabolome Database
- HMDB0041605
- ChemSpider
- 11698
- ChEBI
- 173692
- ChEMBL
- CHEMBL2105367
- Predicted Properties
Property Value Source logP 0.09 Chemaxon pKa (Strongest Basic) -6.7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 52.6 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 37.28 m3·mol-1 Chemaxon Polarizability 16.16 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon