ChemicalBook--->CAS DataBase List--->546-74-7

546-74-7

546-74-7 Structure

546-74-7 Structure
IdentificationBack Directory
[Name]

ETHYLSULFURIC ACID SODIUM SALT
[CAS]

546-74-7
[Synonyms]

Sodium sulfovinate
SODIUM ETHYL SULFATE
ETHYL SODIUM SULFATE
sodium ethyl sulphate
2-ETHOXYL SULFONATE SODIUM
ETHYLSULFURIC ACID SODIUM SALT
Ethyl sulfate sodium salt
Sulfuric acid ethyl=sodium salt
ETHANESULFURIC ACID SODIUM SALT
ETHYLSULFURIC ACID SODIUM SALT 98+%
Sulfuric acid sodium ethyl ester salt
sulfuricacid,monoethylester,sodiumsalt
Ethanesulfuric Acid Sodium Salt Ethylsulfuric Acid Sodium Salt
[EINECS(EC#)]

208-910-1
[Molecular Formula]

C2H5NaO4S
[MDL Number]

MFCD00067412
[MOL File]

546-74-7.mol
[Molecular Weight]

148.11
Chemical PropertiesBack Directory
[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
[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)
Hazard InformationBack Directory
[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 ℃, 1M
[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.]
Safety DataBack Directory
[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
Spectrum DetailBack Directory
[Spectrum Detail]

ETHYLSULFURIC ACID SODIUM SALT(546-74-7)1HNMR
ETHYLSULFURIC ACID SODIUM SALT(546-74-7)13CNMR
ETHYLSULFURIC ACID SODIUM SALT(546-74-7)IR1
ETHYLSULFURIC ACID SODIUM SALT(546-74-7)IR2
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