PROPYLENE GLYCOL


Synonyms	E-1520 E1520 E490 FEMA NO. 2940 Ins no.1520 Ins-1520 Isopropylene glycol Kilfrost abc-s Kollisolv pg Methyl glycol NSC-69860 Propylene glycol Propylene glycol (solvent) Propylene glycol cefatrizine Propylene glycol dl-form Propyleneglycolum Sentry propylene glycol Sirlene
Status
Molecule Category	UNKNOWN
UNII	6DC9Q167V3
EPA CompTox	DTXSID0021206


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	DNIAPMSPPWPWGF-UHFFFAOYSA-N
Smiles	CC(O)CO
InChI	InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C3H8O2
Molecular Weight	76.09
AlogP	-0.64
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	40.46
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	5.0

Cross References

Resources	Reference
ChEBI	16997
ChEMBL	CHEMBL286398
DrugBank	DB01839
DrugCentral	4024
FDA SRS	6DC9Q167V3
Human Metabolome Database	HMDB0001881
KEGG	C00583
PubChem	1030
SureChEMBL	SCHEMBL3535

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).