Compound: DIETHYLENE GLYCOL
SMILES: O(CCO)CCO
InChIKey: MTHSVFCYNBDYFN-UHFFFAOYSA-N
Synonyms: DIETHYLENE GLYCOL, 111-46-6, 2,2'-Oxydiethanol, 2-(2-Hydroxyethoxy)ethanol, 2,2'-Oxybisethanol, Diglycol, Diethylenglykol, Digol, Bis(2-hydroxyethyl) ether, 2-Hydroxyethyl ether, Glycol ether, Ethanol, 2,2'-oxybis-, Ethylene diglycol, Digenos, Dicol, Brecolane ndg, Deactivator E, Dissolvant APV, 2,2'-Oxyethanol, 1,5-Dihydroxy-3-oxapentane, 3-Oxapentane-1,5-diol, Dihydroxydiethyl ether, TL4N, 3-Oxapentamethylene-1,5-diol, Bis(beta-hydroxyethyl) ether, 2,2'-Dihydroxydiethyl ether, 3-Oxa-1,5-pentanediol, Ethanol, 2,2'-oxydi-, 2,2'-Dihydroxyethyl ether, beta,beta'-Dihydroxydiethyl ether, DTXSID8020462, NSC-36391, DTXCID20462, 61BR964293, CHEBI:46807, RefChem:7233, CHEBI:172390, 203-872-2, Glycol ethyl ether, DI(HYDROXYETHYL)ETHER, 2,2'-Oxybis(ethan-1-ol), Diethyleneglycol, 2-(2-hydroxyethoxy)ethan-1-ol, 2,2'-0xydiethanol, MFCD00002882, DEG, bis(2-hydroxyethyl)ether, Deactivator H, Diethylene Glycol (DEG), NSC 36391, 2,2'-Oxybis[Ethanol], 2,2-Di(hydroxyethyl) ether, Bis(.beta.-hydroxyethyl) ether, .beta.,.beta.'-Dihydroxydiethyl ether, di-(Ethylene glycol-d2), Caswell No. 338A, Diethylenglykol [Czech], diethylene-glycol, 31290-76-3, CAS-111-46-6, HSDB 69, CCRIS 2193, EINECS 203-872-2, OH-PEG2-OH, EPA Pesticide Chemical Code 338200, BRN 0969209, diehyleneglycol, diethyene glycol, AI3-08416, 2,2'-Oxydiethanol; Etofenamate Imp. F (EP); Etofenamate Impurity F; Glycerol Impurity A, di-ethylene glycol, PEG2000, UNII-61BR964293, 2-hydroxyethylether, 1KA, Ethanol,2'-oxydi-, Ethanol,2'-oxybis-, Diethylene glycol(DEG), Glycol hydroxyethyl ether, Diethylene glycol, 99%, bis-(2-hydroxyethyl)ether, EC 203-872-2, SCHEMBL1462, HO(CH2CH2O)2H, 2,2-Oxybis(ethan-1-ol), WLN: Q2O2Q, 2-HYDROXYETHOXYETHANOL, 105400-04-2, 2,2'-Oxydi(ethan-1-ol), 4-01-00-02390 (Beilstein Handbook Reference), MLS001055330, BIDD:ER0301, DIETHYLENE GLYCOL ETHER, SCHEMBL384511, DIETHYLENE GLYCOL [MI], 2-(2-Hydroxy-ethoxy)-ethanol, orb1705281, PEG600, SCHEMBL3246047, SCHEMBL6435011, SCHEMBL6437201, SCHEMBL6440126, CHEMBL1235226, DIETHYLENE GLYCOL [HSDB], HO(CH2)2O(CH2)2OH, SCHEMBL14874566, 2-(2-hydroxyethoxyl)ethan-1-ol, MSK9049, PEG4000, PEG6000, Diethylene glycol, LR, >=99%, HMS2270G18, 2,2-OXYDI(ETHAN-1-OL), DIETHYLENE GLYCOL [USP-RS], (Cys(acm)2,7)-alpha-cgrp(human), NSC32855, NSC32856, NSC35744, NSC35745, NSC35746, NSC36391, PEG35000, Tox21_201616, Tox21_300064, .beta.,.beta.'-Dihydroxyethyl ether, PEG 5,000, STL280303, Diethylene glycol, analytical standard, AKOS000120101, MSK9049-1000M, FS-3891, PEG 10,000, PEG 20,000, NCGC00090703-01, NCGC00090703-02, NCGC00090703-03, NCGC00253996-01, NCGC00259165-01, 125448-83-1, 2,2'-Oxydiethanol, 2-Hydroxyethyl ether, BP-20527, BP-22990, BP-23304, BP-25804, BP-25805, BP-31029, BP-31030, BP-31245, BP-40966, BP-43536, Chromate(2-), 2-5-(2,5-dichlorophenyl)azo-2-(hydroxy-.kappa.O)phenylmethyleneamino-.kappa.Nbenzoato(, Diethylene glycol, ReagentPlus(R), 99%, GLYCEROL IMPURITY A [EP IMPURITY], SMR000112132, DB-092325, CS-0014055, D0495, ETOFENAMATE IMPURITY F [EP IMPURITY], NS00004483, Diethylene Glycol; Etofenamate EP Impurity E, EN300-19318, Diethylene glycol, BioUltra, >=99.0% (GC), Diethylene glycol, SAJ first grade, >=98.0%, E83357, Diethylene glycol, Vetec(TM) reagent grade, 98%, F044689, Q421902, Diethylene glycol Solution in Methanol, 1000ug/mL, F1908-0125, 9BAE4479-A6DD-4206-83C1-AB625AB87665, Diethylene glycol, puriss. p.a., >=99.0% (GC), colorless, InChI=1/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H, Diethylene glycol, United States Pharmacopeia (USP) Reference Standard, 162662-01-3, 2,2 inverted exclamation marka-Oxydiethanol; 2-Hydroxyethyl ether; Bis(2-hydroxyethyl) ether; Diglycol, 9002-90-8
Theoretical properties:
molecular_formula: C4H10O3
molecular_weight: 106.12 g/mol
exact_mass: 106.062994177 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 4
heavy_atom_count: 7
topological_polar_surface_area: 49.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless syrupy liquid
color: Colorless syrupy liquid
odor: Practically odorless
boiling_point: 473 °F at 760 mmHg (NTP, 1992)
melting_point: 14 °F (NTP, 1992)
density: 1.118 at 68 °F (USCG, 1999) - Denser than water; will sink
solubility: greater than or equal to 100 mg/mL at 68 °F (NTP, 1992)
flash_point: 290 °F (NTP, 1992)
vapor_pressure: less than 0.01 mmHg at 68 °F ; 0.01 mmHg at 86 °F (NTP, 1992)
Descriptions:
pubchem: Diethylene glycol is a hydroxyether.
chembl: DI(HYDROXYETHYL)ETHER is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Diethylene glycol (DEG) is an organic compound with the formula (HOCH2CH2)2O. It is a colorless, practically odorless, and hygroscopic liquid with a sweetish taste. It is a four-carbon dimer of ethylene glycol. It is miscible in water, alcohol, ether, acetone, and ethylene glycol. DEG is a widely used solvent. It can be a normal ingredient in various consumer products, and it can be a contaminant. DEG has also been misused to sweeten wine and beer, and to viscosify oral and topical pharmaceutical products. Its use has resulted in many epidemics of poisoning since the early 20th century.