Diethylene glycol

Catalog	DGS111466
CAS	111-46-6
Structure
Description	Diethylene glycol (DEG) is an organic compound with the formula (HOCH2CH2)2O. It is a colorless, practically odorless, poisonous, and hygroscopic liquid with a sweetish taste. It is miscible in water, alcohol, ether, acetone, and ethylene glycol. DEG is a widely used solvent. It can be a contaminant in consumer products; this has resulted in numerous epidemics of poisoning since the early 20th century.
Synonyms	2,2'-Oxydiethanol; 2-Hydroxyethyl ether; Diglycol
IUPAC Name	2-(2-hydroxyethoxy)ethanol
Molecular Weight	106.12
Molecular Formula	C4H10O3
InChI	InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI Key	MTHSVFCYNBDYFN-UHFFFAOYSA-N
Boiling Point	245 °C (lit.)
Melting Point	-10 °C (lit.)
Flash Point	143 °C
Purity	99%
Density	1.118 g/mL at 25 °C (lit.)
Solubility	Soluble in water
Appearance	Viscous liquid
Complexity	26.1
EC Number	203-872-2
Exact Mass	106.062994177
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isomeric SMILES	C(COCCO)O
MDL Number	MFCD00002882
Monoisotopic Mass	106.062994177
pH	5.5-7.0 (50 mg/mL in H₂O, 25 °C)
pKa	14.03±0.10 (Predicted)
Rotatable Bond Count	4
Stability	Stable under normal temperatures and pressures.
Storage Conditions	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed. Store protected from moisture.
Topological Polar Surface Area	49.7 Ų
XLogP3-AA	-1.3