ETHYLSULFURIC ACID SODIUM SALT Chemical Properties

Melting point:

170-172°C

Flash point:

9℃

storage temp. 

Refrigerator

solubility 

Methanol (Slightly), Water (Slightly)

form 

powder or crystals

color 

White to Off-White

Water Solubility 

almost transparency

Merck 

14,8540

Stability:

Hygroscopic

InChI

InChI=1S/C2H6O4S.Na.H/c1-2-6-7(3,4)5;;/h2H2,1H3,(H,3,4,5);;

InChIKey

DMVPOIRSNLKSFT-UHFFFAOYSA-N

SMILES

O(CC)S(O)(=O)=O.[NaH]

EPA Substance Registry System

Sulfuric acid, monoethyl ester, sodium salt (546-74-7)

Safety Information

Hazard Codes 

F,T,Xn

Risk Statements 

36/37/38-39/23/24/25-23/24/25-11-36-22

Safety Statements 

26-36/37/39-45-36/37-16-7

RIDADR 

UN1230 - class 3 - PG 2 - Methanol, solution

WGK Germany 

1

TSCA 

TSCA listed

HS Code 

2904.10.5000

Storage Class

11 - Combustible Solids

Hazard Classifications

Acute Tox. 4 Oral
Eye Irrit. 2

ETHYLSULFURIC ACID SODIUM SALT Usage And Synthesis

Chemical Properties

White Solid

Uses

A metabolite of ethanol in humans and a potential biomarker of acute alcohol intake.

General Description

A Certified Spiking Solution^? suitable for use in LC/MS or GC/MS applications for clinical toxicology, forensic analysis, or urine alchohol testing. Ethyl sulfate is a primary urinary metabolite of consumed alcohol and is indicative of recent alcohol consumption.

Synthesis

Weigh 0.1 mol of sodium monomethyl carbonate, and 400 grams of methanol solvent to form a solution; weigh 0.11 mol of diethyl sulfate, add it to the solution, at 30 ?? ~ 120 ??, the pressure of 0 ~ 2MPa to keep 18 hours, the specific example is at 100 ??, 1MPa to keep 18 hours; the reaction is complete to obtain a solution of sodium ethyl sulfate in methanol. The reaction was completed by heating the solution at a reduced pressure of 6.0 kPa or less and 50??C. After distillation and separation of the methanol, the temperature was increased from 50??C to 100??C and heated for 1 hour, and monomethyl carbonate, dimethyl carbonate, methyl ethyl carbonate, methanol, carbon dioxide and the like were distilled, of which methanol and carbon dioxide were produced by thermal decomposition of the monomethyl carbonate, and the amount was very small. Upon completion of the distillation and separation, the monohydrocarbonate salt of sulfuric acid of this example, i.e., sodium ethyl sulfate, was obtained. The yield was tested to be 99.5%, the moisture was 0.08%, the pH of the 1:100 aqueous solution was 6.8, the main content was 99.3% by cation chromatography, and the main content was 99.5% by anion chromatography.

Purification Methods

Recrystallise it three times from MeOH/Et2O and dry it in a vacuum. [Beilstein 1 H 326, 1 I 164, 1 III 1317, 1 IV 1325.]

ETHYLSULFURIC ACID SODIUM SALT(546-74-7)Related Product Information

• ETHYL CHLOROFLUOROACETATE
• Ethylmagnesium chloride
• Phenethyl isocyanate
• 3-Ethyl-2,5-Dihydro-4-Methyl-2-Oxo-N-(2-Phenylethyl)-1h-Pyrrole-1-Carboxamide
• GLIMEPIRIDE RELATED COMPOUND C (20 MG) (GLIMEPIRIDE URETHANE)
• 4-12-00-02470 (Beilstein Handbook Reference)
• Glimepiride Impurity 19
• 4-[2-[(3-Ethyl-4-methyl-2-oxo-3-pyrrolin-1-yl)carboxamido]ethyl]benzenesulfonamide
• trans-4-Methylcyclohexyl amine
• methyl hydrogen sulphate
• Glimepiride Impurity 2
• Meta-GliMepiride IMpurity
• GliMepiride EP IMpurity J
• 4-(2-Aminoethyl)benzenesulfonamide
• Benzenesulfonamide, 3-(2-aminoethyl)- (9CI)
• trans-4-Methycyclohexyl isocyanate
• rac trans-Hydroxy Glimepiride-D5
• ortho-GliMepiride IMpurity