PRODUCTS

DIETHYL SULFATE

Diethyl Sulfate is used intermediate in processes such as indirect hydration for synthetic ethanol production.
Diethyl Sulfate is used in creation of surfactants, agricultural chemicals, pharmaceuticals, carbonless paper, and specialty products.
Diethyl Sulfate is utilized in research laboratories for synthesizing biologically active compounds and tailored organic frameworks.

CAS Number: 64-67-5
EC / EINECS Number: 200-589-6
Molecular Formula: C4H10O4S / C2H5)2SO4
Molecular Weight: 154.19 g/mol

SYNONYMS:
Diethyl sulfate, Diethyl sulphate, Sulfuric acid diethyl ester, Ethyl sulfate, Diethyl tetraoxosulfate, Sulfuric acid, diethyl ester, DES, Diaethylsulfat, Diethyl ester of sulfuric acid, Diethyl monosulfate, EtOSO3Et, UN1594,Diethyl sulfate,Sulfuric acid diethyl ester,Diethyl sulfate,64-67-5,Diethyl sulphate,Sulfuric acid, diethyl ester,DIETHYLSULFATE,Diaethylsulfat,Sulfuric acid diethyl ester,Diethyl tetraoxosulfate,Diethylester kyseliny sirove,K0FO4VFA7I,NSC-56380,CHEBI:34699,NSC56380,RefChem:133445,Sufuric Acid Diethyl Ester,200-589-6,MFCD00009099,NSC 56380,DTXSID1024045,ethyl ethoxysulfonate,DTXCID604045,Diaethylsulfat [German],DES (VAN),CAS-64-67-5,Diethyl Monosulfate,CCRIS 242,HSDB 1636,Diethylester kyseliny sirove [Czech],EINECS 200-589-6,UNII-K0FO4VFA7I,UN1594,diethylsulphate,diethyl-sulphate,AI3-15355,Ethyl sulfate (Et2SO4), DES, Diethyl sulfate, Ethyl sulfate, NSC 56380,diethylsulfuric acid,EtOSO3Et,Diethyl sulfate, 98%,Montelukast Impurity 15,Ethyl sulfate (Et2SO4),EC 200-589-6,SCHEMBL1769,WLN: 2OSWO2,Sulphuric acid diethyl ester,DIETHYL SULFATE [MI],DIETHYLSULFATE [HSDB],BIDD:ER0594,DIETHYL SULFATE[IARC], CHEMBL163100,SCHEMBL11379927, Tox21_202402, Tox21_300169, MSK001495, SBB060663, STL268863, AKOS009157686, FD12133, UN 1594,Diethyl sulfate [UN1594] [Poison],NCGC00164138-01,NCGC00164138-02,NCGC00164138-03,NCGC00253940-01,NCGC00259951-01,D0525,NS00008605,ST51046800,Q421338,F0001-1737,InChI=1/C4H10O4S/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H,Ethyl sulfate, Sulfuric acid diethyl ester,Sulfuric acid, diethyl ester, DES, Ethyl sulfate, Sulphuric acid diethyl ester, Diethyl sulphate, Diaethylsulfat, Diethylester kyseliny sirove, UN 1594, NSC 56380,ethyl sulfate,sulfuric acid diethyl ester,diethyl sulphate,sulfuric acid, diethyl ester,diethyl tetraoxosulfate,diethyl sulfate diaethylsulfat diethylsulfate ccris 242 diethylester kyseliny sirove diethyl tetraoxosulfate,Sulfuric acid, diethyl ester, Diethyl sulfate, DES, Ethyl Sulfate, Sulphuric acid diethyl ester, Diethyl sulphate, Diaethylsulfat, DS, Diethylester kyseliny sirove, UN 1594, NSC 56380

Diethyl sulfate is a versatile chemical compound widely recognized for its applications in organic synthesis and as a reagent in various chemical reactions.
This colorless liquid, Diethyl Sulfate, is known for its strong alkylating properties, making it an essential component in the production of pharmaceuticals, agrochemicals, and specialty chemicals.

Diethyl Sulfate is a colorless liquid with an odor of peppermint; darkens with age; Colorless oily liquid.
Diethyl Sulfate is a colorless, corrosive, oily liquid that darkens with age and has a faint peppermint odor.
Diethyl sulfate appears as a clear colorless liquid with a peppermint odor.

Diethyl Sulfate is a potent alkylating agent.
Flash point of Diethyl Sulfate is 104 °C (219 °F).
Diethyl sulfate is the diethyl ester of sulfuric acid.

Diethyl Sulfate has a role as an alkylating agent, a mutagen, a carcinogenic agent and an apoptosis inducer.
Diethyl Sulfate is an organosulfur compound with the formula (C2H5)2SO4.
Diethyl Sulfate occurs as a colorless, oily liquid with a faint peppermint odor.

Diethyl sulfate is a chemical compound that is used to extract fluids from the body, such as blood and urine.
Diethyl Sulfate forms an ester bond with the alcohol group in ethanol, resulting in the formation of diethyl ether.
The glucuronide group can also form an ester bond with diethyl sulfate in the presence of water, forming an ether-sulfate ester.

USES and APPLICATIONS of DIETHYL SULFATE:
Diethyl Sulfate is primarily used as an ethylating agent in organic synthesis for the manufacture of dyes, pharmaceuticals, agrochemicals, and other chemical intermediates.
Diethyl Sulfate is also employed in laboratory and industrial processes to introduce ethyl groups into compounds.

Diethyl Sulfate is used mainly to make dyes; Also used as an ethylating agent (pigment production), a finishing agent (textile manufacturing), a dye-set agent (carbonless paper), and an accelerator (sulfation of ethylene).
Diethyl Sulfate is also used in agricultural chemicals, household products, pharmaceuticals, and cosmetics.

Researchers and industry professionals utilize diethyl sulfate in the synthesis of various organic compounds, including ethers and esters, due to its ability to introduce ethyl groups into molecular structures.
Its effectiveness as a methylating agent also positions Diethyl Sulfate as a valuable tool in the development of complex organic molecules.

In addition to its synthetic applications, diethyl sulfate serves as a potent intermediate in the manufacture of surfactants and other industrial chemicals.
Diethyl Sulfate's unique properties allow for the efficient modification of polymers and the enhancement of material performance.

However, it is important to handle diethyl sulfate with care due to its toxic nature and potential health hazards.
Overall, diethyl sulfate is a crucial compound for researchers and manufacturers looking to innovate and improve chemical processes.
Diethyl Sulfate is primarily used as a chemical intermediate and ethylating agent in organic synthesis, especially to introduce ethyl groups into phenols, amines, thiols and other compounds.

Diethyl Sulfate is used in manufacture of dyes, pigments, textiles and textile chemicals.
Diethyl Sulfate is employed in sulfation and some sulfonation processes.
Diethyl Sulfate is used intermediate in processes such as indirect hydration for synthetic ethanol production.

Diethyl Sulfate is used in creation of surfactants, agricultural chemicals, pharmaceuticals, carbonless paper, and specialty products.
Diethyl Sulfate is utilized in research laboratories for synthesizing biologically active compounds and tailored organic frameworks.
Diethyl sulfate is used as an ethylating agent.

Diethyl sulfate is used as an ethylating agent and as a chemical intermediate.
Diethyl sulfate is mainly used as an ethylating agent in organic synthesis and in the dye and textile manufacturing.

Diethyl sulfate has been shown to be effective for wastewater treatment because it removes organic substances and heavy metals from water by binding them to its sulfur atom.
Diethyl Sulfate may also be used as a matrix effect agent for analytical methods that require basic proteins.

FUNCTIONS of DIETHYL SULFATE:
Diethyl sulfate functions as an alkylating agent in research and development.
Diethyl Sulfate acts by transferring an ethyl group to nucleophilic amino, hydroxyl, and thiol groups in proteins and DNA.

This alkylation disrupts the normal functioning of these biomolecules, leading to the inhibition of cellular processes and ultimately cell death.
Diethyl sulfate′s mechanism of action involves the formation of covalent bonds with nucleophilic sites, causing structural and functional changes in the target molecules.

Diethyl Sulfate′s ability to modify biomolecules at the molecular level may be a useful for studying the effects of alkylation on cellular processes and for investigating the mechanisms of DNA and protein damage.
Diethyl Sulfate's role in study involves elucidating the molecular consequences of alkylation and understanding the potential implications for cellular function.

PREPARATION of DIETHYL SULFATE:
Diethyl sulfate cannot be prepared efficiently analogously to the method used for dimethyl sulfate.
The reaction of oleum with diethyl ether results in excessive oxidation of the ethyl groups.

Instead, diethyl sulfate is prepared in two steps starting from chlorosulfuric acid:
ClSO3H + C2H5OH → C2H5OSO3H + HCl
The resulting ethyl sulfate is then heated with sodium sulfate, leading to a redistribution reaction:
2 C2H5OSO3H + Na2SO4 → (C2H5O)2SO2 + 2 NaHSO4

OCCURRENCE/USE of DIETHYL SULFATE:
Chemical intermediate (ethylating agent) in production of dyes, pigments, carbonless paper, and textiles; component of household products, agricultural chemicals, and pharmaceuticals.

REACTIONS of DIETHYL SULFATE:
Diethyl sulfate is used to an alkylating agent to prepare ethyl ethers, ethyl amines and ammonium salts, and ethyl thioethers.
In preparing ethyl esters of fatty acids, both equivalents of the ethyl electrophile are transferred, unlike the usual alkylation of phenoxides.
2 RCO2Na + (C2H5O)2SO2 → 2 RCO2C2H5 + Na2SO4
Both dimethyl sulfate and diethyl sulfate react with inorganic nucleophiles as well.
For example, potassium iodide gives ethyl iodide.

STRUCTURE AND PROPERTIES of DIETHYL SULFATE:
Although the formula for diethyl sulfate is typically written (C2H5)2SO4, a more descriptive formula would be (C2H5O)2SO2.
Diethyl Sulfate is a diester of sulfuric acid.
Sulfur is tetrahedral.
Diethyl sulfate hydrolyzes readily, forming ethanol and ethyl sulfate.
Eventually sulfuric acid is formed with excess water.

PHYSICAL and CHEMICAL PROPERTIES of DIETHYL SULFATE:
Chemical formula:C4H10O4S
Molar mass:154.18g·mol−1
Appearance:Colorless liquid
Density:1.2g/mL
Melting point:−25°C
Boiling point:209°C(decomposes)
Solubility in water:decomposesinwater
Vapor pressure:0.29mmHg
Magnetic susceptibility (χ):−86.8·10−6cm3/mol

Molecular Formula:C4H10O4S
(C2H5)2SO4
Molecular Weight:154.19g/mol
XLogP3:1.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:154.02997997Da
Monoisotopic Mass:154.02997997Da
Topological Polar Surface Area:61Å²

Heavy Atom Count:9
Formal Charge:0
Complexity:130
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Compound Is Canonicalized:Yes
Linear Formula:(C2H5O)2SO2
CAS Number:64-67-5
Molecular Weight:154.18
UNSPSC Code:12352108
NACRES:NA.22
PubChem Substance ID:24893316
EC Number:200-589-6
Beilstein/REAXYS Number:1209714

MDL number:MFCD00009099
Assay:98%
Form:liquid
Physical state:liquid
Color:colourless
Odor:ether-like
Melting point/range:-24°C
Method:lit.
Boiling point/boiling range:208°C
Method:lit.

Flammability:No data available
Upper explosion limit/Upper flammability limit:Upper explosion limit 12,2%(V)
Lower explosion limit/Lower flammability limit:4,1%(V)
Flash point:104°C
Method:closed cup
Autoignition temperature:436°C
Decomposition temperature:>208°C
pH:No data available
Viscosity
Viscosity, dynamic:1,79mPa.s(20°C)

Viscosity, kinematic:No data available
Flow time:No data available
Solubility(ies)
Water solubility:7g/l(20°C)
Hydrolysis
Partition coefficient: noctanol/water:log Pow:1,14
Method:(experimental)
Bioaccumulation is not expected.(Lit.)
Vapor pressure:0,25hPa(20°C)
Relative density:No data available

Density:1,177g/mL(25°C)
Method:lit.
Relative vapour density:5,32(Air=1.0)
Explosives:Not classified as explosive.
Oxidizing properties:none
Burning rate:No data available
Evaporation rate:No data available
Molecular weight:154,18g/mol
CAS No:64-67-5
Product Code:FD12133
MDL No:MFCD00009099

Common Name: Diethyl sulfate
IUPAC Name: Ethyl sulfate (informal IUPAC) / Sulfuric acid diethyl ester
CAS Number: 64-67-5
EC / EINECS Number: 200-589-6
Molecular Formula: C4H10O4S
Molar Mass: 154.18 g/mol
Structure: Diethyl ester of sulfuric acid — two ethyl groups bonded to a central sulfate group.
Appearance: Colorless, oily liquid with a faint peppermint-like odor.
Physical Nature: Dense, liquid organic compound; does not occur naturally and is made synthetically.

Physical State: Liquid (room temperature)
Color: Colorless
Odor: Faint peppermint / ether-like
Melting / Freezing Point: ~ -25 °C
Boiling Point: ~208–209.5 °C (decomposes)
Density / Specific Gravity: ~1.17–1.18 g/cm³ at 20–25 °C
Refractive Index (n20/D): ~1.399
Vapor Pressure: <0.01 mmHg at 20 °C

Vapor Density: ~5.3 (air = 1)
Solubility: Slight hydrolysis in water; miscible with alcohols and ethers
Chemical Stability: Moisture sensitive; decomposes with water / heat
Chemical Behavior: Strong alkylating agent; reacts with nucleophiles
Combustibility: Combustible liquid; produces toxic fumes when burned
Hydrolysis: Hydrolyzes to ethanol and ethyl hydrogen sulfate (and eventually sulfuric acid)
Atmospheric Fate: Reacts with hydroxyl radicals; short atmospheric half-life
Odor Threshold: Low — distinct respiratory irritation at small exposures

Chemical Formula:C4H10O4S
Molecular Weight:154.19g/mol
Smiles:CCOS(=O)(=O)OCC
Melting Point:-25°C
Boiling Point:208°C
Density:1.18g/cm3
Flash Point:104°C
Long Term Storage:store at 10°C-25°C, keep dry
Molecular Formula / Molecular Weight:C4H10O4S=154.18

Physical State (20 deg.C):Liquid
Storage Temperature:Room Temperature (Recommended in a cool and dark place, <15°C)
CAS RN:64-67-5
Reaxys Registry Number:1209714
PubChem Substance ID:87567187
SDBS (AIST Spectral DB):310
Merck Index (14):3130
MDL Number:MFCD00009099
Other(deleted CASRN):182115-04-4
ECHA EINECS - REACH Pre-Reg:200-589-6
FDA UNII:K0FO4VFA7I

Nikkaji Web:J2.811H
XlogP3:1.10(est)
Molecular Weight:154.18550000
Formula:C4H10O4S
Assay:95.00 to 100.00
Food Chemicals Codex Listed:No
Specific Gravity:1.17700@25.00°C
Refractive Index:1.39900@20.00°C
Flash Point:173.00°F.TCC(78.33°C)
Soluble in:
water,7000mg/L@20°C(exp)
water,7727mg/L@25°C(est)

CAS:64-67-5
IUPAC Name:diethyl sulfate
Molecular Formula:C4H10O4S
InChI Key:DENRZWYUOJLTMF-UHFFFAOYSA-N
SMILES:CCOS(=O)(=O)OCC
Molecular Weight (g/mol):154.18
Appearance (Form):Clear liquid
Color scale:=<30 APHA
Infrared spectrum:Conforms
GC:>=98.5%
Water:=<0.15%
Refractive index:1.3990 to 1.4010(20°C,589 nm)

FIRST AID MEASURES of DIETHYL SULFATE:
-Description of first-aid measures
*General advice:
Show this material safety data sheet to the doctor in attendance.
*If inhaled:
After inhalation:
Fresh air.
*In case of skin contact:
Take off immediately all contaminated clothing.
Rinse skin with
water/ shower.
*In case of eye contact:
After eye contact:
Rinse out with plenty of water.
Call in ophthalmologist.
Remove contact lenses.
*If swallowed:
After swallowing:
Immediately make victim drink water (two glasses at most).
Consult a physician.
-Indication of any immediate medical attention and special treatment needed.
No data available

ACCIDENTAL RELEASE MEASURES of DIETHYL SULFATE:
-Environmental precautions:
Do not let product enter drains.
-Methods and materials for containment and cleaning up:
Cover drains.
Collect, bind, and pump off spills.
Observe possible material restrictions.
Take up dry.
Dispose of properly.
Clean up affected area.

FIRE FIGHTING MEASURES of DIETHYL SULFATE:
-Extinguishing media:
*Suitable extinguishing media:
Carbon dioxide (CO2)
Foam
Dry powder
*Unsuitable extinguishing media:
For this substance/mixture no limitations of extinguishing agents are given.
-Further information:
Prevent fire extinguishing water from contaminating surface water or the ground water system.

EXPOSURE CONTROLS/PERSONAL PROTECTION of DIETHYL SULFATE:
-Control parameters:
--Ingredients with workplace control parameters:
-Exposure controls:
--Personal protective equipment:
*Eye/face protection:
Use equipment for eye protection.
Safety glasses
*Body Protection:
protective clothing
*Respiratory protection:
Recommended Filter type: Filter A
-Control of environmental exposure:
Do not let product enter drains.

HANDLING and STORAGE of DIETHYL SULFATE:
-Conditions for safe storage, including any incompatibilities:
*Storage conditions:
Tightly closed.
Dry.

STABILITY and REACTIVITY of DIETHYL SULFATE:
-Chemical stability:
The product is chemically stable under standard ambient conditions (room temperature).
-Possibility of hazardous reactions:
No data available