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Ethylsulfuric acid sodium salt

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Ethylsulfuric acid sodium salt Basic information
Product Name:Ethylsulfuric acid sodium salt
Synonyms:Sodium sulfovinate;Sulfuric acid ethyl=sodium salt;Sulfuric acid sodium ethyl ester salt;Ethanesulfuric Acid Sodium Salt Ethylsulfuric Acid Sodium Salt;Ethyl sulfate sodium salt ;sulfuricacid,monoethylester,sodiumsalt;SODIUM ETHYL SULFATE;ETHANESULFURIC ACID SODIUM SALT
CAS:546-74-7
MF:C2H5O4SNa
MW:148.11
EINECS:208-910-1
Product Categories:Aliphatics;Metabolites & Impurities;Sulfur & Selenium Compounds
Mol File:546-74-7.mol
Ethylsulfuric acid sodium salt Structure
Ethylsulfuric acid sodium salt Chemical Properties
Melting point 170-172°C
Fp 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
InChIInChI=1S/C2H6O4S.Na.H/c1-2-6-7(3,4)5;;/h2H2,1H3,(H,3,4,5);;
InChIKeyDMVPOIRSNLKSFT-UHFFFAOYSA-N
SMILESO(CC)S(O)(=O)=O.[NaH]
EPA Substance Registry SystemSulfuric 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 Class11 - Combustible Solids
Hazard ClassificationsAcute Tox. 4 Oral
Eye Irrit. 2
MSDS Information
Ethylsulfuric acid sodium salt Usage And Synthesis
Chemical PropertiesWhite Solid
UsesA metabolite of ethanol in humans and a potential biomarker of acute alcohol intake.
General DescriptionA 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.
SynthesisWeigh 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 50C. After distillation and separation of the methanol, the temperature was increased from 50C to 100C 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 MethodsRecrystallise 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 Preparation Products And Raw materials
Preparation Products1,4-Diethylpiperazine
Tag:Ethylsulfuric acid sodium salt(546-74-7) Related Product Information
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