1,2-(2H4)Ethanediol

Modify Date: 2024-01-03 00:21:48

1,2-(2H4)Ethanediol Structure
1,2-(2H4)Ethanediol structure
Common Name 1,2-(2H4)Ethanediol
CAS Number 2219-51-4 Molecular Weight 66.092
Density 1.1±0.1 g/cm3 Boiling Point 197.5±0.0 °C at 760 mmHg
Molecular Formula C2H2D4O2 Melting Point -13ºC(lit.)
MSDS Chinese USA Flash Point 108.2±13.0 °C
Symbol GHS07
GHS07
Signal Word Warning

 Use of 1,2-(2H4)Ethanediol


Ethylene glycol-d4 is the deuterium labeled Ethylene glycol[1].

 Names

Name ethylene-d4 glycol
Synonym More Synonyms

 1,2-(2H4)Ethanediol Biological Activity

Description Ethylene glycol-d4 is the deuterium labeled Ethylene glycol[1].
Related Catalog
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1].
References

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.  

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 197.5±0.0 °C at 760 mmHg
Melting Point -13ºC(lit.)
Molecular Formula C2H2D4O2
Molecular Weight 66.092
Flash Point 108.2±13.0 °C
Exact Mass 66.061890
PSA 40.46000
LogP -1.69
Vapour Pressure 0.1±0.8 mmHg at 25°C
Index of Refraction 1.422
Storage condition 2-8°C

 Safety Information

Symbol GHS07
GHS07
Signal Word Warning
Hazard Statements H302
Hazard Codes Xn: Harmful;
Risk Phrases R22
Safety Phrases S2
RIDADR UN 3082 9 / PGIII
WGK Germany 3
HS Code 2905310000

 Synthetic Route

~71%

1,2-(2H4)Ethanediol Structure

1,2-(2H4)Ethanediol

CAS#:2219-51-4

Literature: AUSPEX PHARMACEUTICALS, INC.; RAO, Tadimeti; ZHANG, Chengzhi Patent: WO2011/17108 A2, 2011 ; Location in patent: Page/Page column 46-47 ; WO 2011/017108 A2

~89%

1,2-(2H4)Ethanediol Structure

1,2-(2H4)Ethanediol

CAS#:2219-51-4

Literature: Maegawa, Tomohiro; Fujiwara, Yuta; Inagaki, Yuya; Monguchi, Yasunari; Sajiki, Hironao Advanced Synthesis and Catalysis, 2008 , vol. 350, # 14-15 p. 2215 - 2218

~49%

1,2-(2H4)Ethanediol Structure

1,2-(2H4)Ethanediol

CAS#:2219-51-4

Literature: Angewandte Chemie - International Edition, , vol. 51, # 52 p. 13041 - 13045 Angew. Chem., , vol. 124, # 52

~%

1,2-(2H4)Ethanediol Structure

1,2-(2H4)Ethanediol

CAS#:2219-51-4

Literature: Organic Mass Spectrometry, , vol. 28, # 5 p. 552 - 558

~%

1,2-(2H4)Ethanediol Structure

1,2-(2H4)Ethanediol

CAS#:2219-51-4

Literature: Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, , vol. 22, # 7 p. 720 - 722

 Customs

HS Code 2905310000
Summary HS:2905310000 ethane-1,2-diol VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

 Synonyms

1,2-(H)Ethanediol
d2-hydrogen sulphide
deuterium-labeled ethylene glycol
(H)Ethane-1,2-diol
ethylene glycol-d6
EINECS 218-730-5
MFCD00075388
Hydrogen sulfide-d2
1,2-Ethane-d-diol
Ethylene-d4Glycol