Diethyl pyrocarbonate supplier

Name
Diethyl pyrocarbonate
EINECS 216-542-8
CAS No. 1609-47-8
Article Data20
CAS DataBase
Density 1.15 g/cm³
Solubility slow decomposition in water
Melting Point 69℃
Formula C₆H₁₀O₅
Boiling Point 201.3 °C at 760 mmHg
Molecular Weight 162.142
Flash Point 69.4 °C
Transport Information UN 2810
Appearance colorless liquid
Safety 26-36-37/39
Risk Codes 36/37/38-20/21/22
Molecular Structure
Hazard Symbols Xn
Synonyms Dicarbonicacid, diethyl ester (9CI);Formic acid, oxydi-, diethyl ester (8CI);Pyrocarbonic acid diethyl ester (6CI);Baycovin;DEPC;Dekapex;Diethyldicarbonate;Diethyl oxydiformate;Piref;Ue 5908;carbonic acid, ethoxycarbonyl ethyl ester;Dicarbonic acid diethyl ester;Oxydiformic acid diethyl ester;
PSA 61.83000
LogP 1.31600

Synthetic route

: 541-41-3
chloroformic acid ethyl ester

: 1609-47-8
diethyl dicarbonate

Conditions

Conditions	Yield
With sodium hydroxide; tetrabutylammomium bromide In dichloromethane at -10℃; for 1h;	93%

: 483-18-1, 522-99-6, 7005-82-5, 38241-16-6, 65910-27-2, 74059-23-7, 74111-75-4, 74111-76-5
(+-)-Emetin

: 67-66-3
chloroform

: 541-41-3
chloroformic acid ethyl ester

diluted KOH: diluted KOH

A: 1609-47-8
diethyl dicarbonate

B: 105-58-8
Diethyl carbonate

Conditions

Conditions	Yield
oder anstatt Emetin mit tertiaeren Basen,entsteht noch das N-Carbaethoxy-Derivat der betreffenden tertiaeren Base;

...Expand

: 541-41-3
chloroformic acid ethyl ester

emetine hydrochloride: emetine hydrochloride

: 1609-47-8
diethyl dicarbonate

Conditions

Conditions	Yield
With potassium hydroxide; chloroform
With chloroform; 2,3-Dimethylaniline
With chloroform mit anderen tertiaeren Basen;

: 541-41-3
chloroformic acid ethyl ester

potassium-salt of carbonic acid monoethyl ester: potassium-salt of carbonic acid monoethyl ester

: 1609-47-8
diethyl dicarbonate

Conditions

Conditions	Yield
With toluene

: 64-17-5
ethanol

: 24424-99-5
di-tert-butyl dicarbonate

A: 27945-07-9
tert-butyl ethyl carbonate

B: 19935-69-4
Ethyl-tert-butylpyrocarbonat

C: 1609-47-8
diethyl dicarbonate

D: 105-58-8
Diethyl carbonate

Conditions

Conditions	Yield
With dmap In acetonitrile at 20℃; Product distribution; Further Variations:; Solvents; reaction times; Condensation;

...Expand

: 5536-61-8
sodium methacrylate

: 541-41-3
chloroformic acid ethyl ester

A: 760-93-0
methacryloyl anhydride

B: 1609-47-8
diethyl dicarbonate

C: 21982-91-2
carboethoxymethacrylic anhydride

D: 105-58-8
Diethyl carbonate

...Expand

: 541-41-3
chloroformic acid ethyl ester

: 124-30-1
1-aminooctadecane

: 1609-47-8
diethyl dicarbonate

Conditions

Conditions	Yield
With sodium hydroxide; magnesium sulfate; PEG 15 stearamine In water

: 50-24-8
prednisolon

: 1609-47-8
diethyl dicarbonate

: Prednisolone 21-ethylcarbonate

Conditions

Conditions	Yield
In acetone for 0.5h; Heating;	100%

: 50-23-7
HYDROCORTISONE

: 1609-47-8
diethyl dicarbonate

: Hydrocortisone-21-ethyl carbonate

Conditions

Conditions	Yield
In ethanol for 0.5h; Heating;	100%

: 50-28-2
estradiol

: 1609-47-8
diethyl dicarbonate

: 105660-13-7
17β-Estradiol-bis-ethyl carbonate

Conditions

Conditions	Yield
for 0.5h; Heating;	100%

: 53-43-0
dehydroepiandrosterone

: 1609-47-8
diethyl dicarbonate

: 86270-42-0
3β-ethoxycarbonyloxyandrost-5-en-17-one

Conditions

Conditions	Yield
for 0.5h; Heating;	100%

: 521-17-5, 1963-03-7, 4593-57-1, 4593-58-2, 14504-94-0, 16895-59-3, 47122-33-8, 64162-67-0, 75767-22-5, 139973-51-6, 151284-19-4
5-androstenediol

: 1609-47-8
diethyl dicarbonate

: 3β,17β-Dihydroxy-androstene-5-bis-ethyl carbonate

Conditions

Conditions	Yield
for 0.5h; Heating;	100%

: 434-22-0
19-nortestosterone

: 1609-47-8
diethyl dicarbonate

: 19-Nortestosterone-ethyl carbonate

Conditions

Conditions	Yield
for 0.5h; Heating;	100%

: 60-33-3
linoleic acid

: 1609-47-8
diethyl dicarbonate

: 544-35-4
ethyl (9Z,12Z)-9,12-octadecadienoate

Conditions

Conditions	Yield
With dmap In tetrahydrofuran for 0.166667h;	100%

: C2H8N2Pol

: 1044243-46-0
C32H34N4O4S2

: 1609-47-8
diethyl dicarbonate

: C34H42N4O6PolS2

Conditions

Conditions	Yield
Stage #1: C2H8N2Pol; C32H34N4O4S2 In 1-methyl-pyrrolidin-2-one at 45℃; for 60h; Polystyrene; Stage #2: diethyl dicarbonate In dichloromethane	100%

...Expand

: 467-04-9
oripavine

: 1609-47-8
diethyl dicarbonate

: 1370351-53-3
ethyl ((7aR,12bS)-7-methoxy-3-methyl-2,3,4,7a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]-isoquinolin-9-yl) carbonate

Conditions

Conditions	Yield
With dmap In dichloromethane at 20 - 25℃; for 17h; Inert atmosphere;	100%
With dmap In dichloromethane at 10℃; for 1h;	81%

: 90-15-3
α-naphthol

: 1609-47-8
diethyl dicarbonate

: 37569-08-7
ethyl (naphthalene-1-yl)carbonate

Conditions

Conditions	Yield
With magnesium(II) perchlorate at 40℃; for 3h;	99%

: 1609-47-8
diethyl dicarbonate

: 108-95-2
phenol

: 3878-46-4
ethyl phenyl carbonate

Conditions

Conditions	Yield
With magnesium(II) perchlorate at 40℃; for 5h;	99%
reagiert analog mit anderen Phenolen;

: 1161-13-3
N-Cbz-L-Phe

: 1609-47-8
diethyl dicarbonate

: 28709-70-8
N-benzyloxycarbonyl-L-phenylalanine ethyl ester

Conditions

Conditions	Yield
With dmap In tetrahydrofuran for 0.5h;	99%

: 32981-86-5, 71629-92-0, 92999-93-4, 115509-92-7
10-Deacetylbaccatine III

: 1609-47-8
diethyl dicarbonate

: 10-ethoxycarbonyl-10-desacetylbaccatin III

Conditions

Conditions	Yield
With cerium(III) chloride In tetrahydrofuran at 25℃; for 3h;	99%
With cerium(III) chloride In tetrahydrofuran at 25℃; for 3h;	99%
With cerium(III) chloride In tetrahydrofuran at 25℃; for 3h; Under N2;	99%
cerium(III) chloride In tetrahydrofuran at 25℃; for 3h;	99%

: 64-17-5
ethanol

: 100-52-7
benzaldehyde

: 1609-47-8
diethyl dicarbonate

: 2-[6'-(tert-butyldiphenylsiloxy)-1'-cyclohexen-1'-yl]ethylamine

: {2-[6-(tert-butyl-diphenyl-silanyloxy)-cyclohex-1-enyl]-ethyl}-(ethoxy-phenyl-methyl)-carbamic acid ethyl ester

Conditions

Conditions	Yield
Stage #1: benzaldehyde; 2-[6'-(tert-butyldiphenylsiloxy)-1'-cyclohexen-1'-yl]ethylamine With magnesium sulfate; potassium carbonate In dichloromethane at 20℃; Stage #2: ethanol; diethyl dicarbonate at 20℃; Further stages.;	99%

...Expand

: 64-17-5
ethanol

: 123-72-8
butyraldehyde

: 1609-47-8
diethyl dicarbonate

: 2-[6'-(tert-butyldiphenylsiloxy)-1'-cyclohexen-1'-yl]ethylamine

: {2-[6-(tert-butyl-diphenyl-silanyloxy)-cyclohex-1-enyl]-ethyl}-(1-ethoxy-butyl)-carbamic acid ethyl ester

Conditions

Conditions	Yield
Stage #1: butyraldehyde; 2-[6'-(tert-butyldiphenylsiloxy)-1'-cyclohexen-1'-yl]ethylamine With magnesium sulfate; potassium carbonate In dichloromethane at 20℃; Stage #2: ethanol; diethyl dicarbonate at 20℃; Further stages.;	99%

...Expand

: 109-00-2
3-HYDROXYPYRIDINE

: 1609-47-8
diethyl dicarbonate

: ethyl pyrid-3-yl carbonate

Conditions

Conditions	Yield
With magnesium(II) perchlorate at 40℃; for 5.5h;	99%

: 123-08-0
4-hydroxy-benzaldehyde

: 1609-47-8
diethyl dicarbonate

: 50262-54-9
ethyl 4-formylphenyl carbonate

Conditions

Conditions	Yield
With magnesium(II) perchlorate at 40℃; for 4.5h;	99%

: 150-76-5
4-methoxy-phenol

: 1609-47-8
diethyl dicarbonate

: 22719-84-2
4-methoxyphenyl ethyl carbonate

Conditions

Conditions	Yield
With magnesium(II) perchlorate at 40℃; for 3h;	99%

: 90-05-1
2-methoxy-phenol

: 1609-47-8
diethyl dicarbonate

: 1847-84-3
ethyl 2-methoxyphenyl carbonate

Conditions

Conditions	Yield
With magnesium(II) perchlorate at 40℃; for 3h;	99%

: 100-02-7
4-nitro-phenol

: 1609-47-8
diethyl dicarbonate

: 6132-45-2
ethyl 4-nitrophenyl carbonate

Conditions

Conditions	Yield
With magnesium(II) perchlorate at 40℃; for 1.5h;	99%

: 121-71-1
3-Hydroxyacetophenone

: 1609-47-8
diethyl dicarbonate

: ethyl 3-acetylphenyl carbonate

Conditions

Conditions	Yield
With magnesium(II) perchlorate at 40℃; for 4.5h;	99%

: 1609-47-8
diethyl dicarbonate

: 135-19-3
β-naphthol

: 91902-97-5
ethyl (naphthalene-2-yl)carbonate

Conditions

Conditions	Yield
With magnesium(II) perchlorate at 40℃; for 3h;	99%

: 1609-47-8
diethyl dicarbonate

: 175849-51-1
4-((triisopropylsilyl)oxy)butan-1-ol

: ethyl 4-(triisopropylsilyloxy)butyl carbonate

Conditions

Conditions	Yield
With magnesium(II) perchlorate at 40℃; for 5.5h;	99%

: potassium cyanide

: 123-11-5
4-methoxy-benzaldehyde

: 1609-47-8
diethyl dicarbonate

: 2-ethoxycarbonyl (R)-2-hydroxy-2-(4-methoxyphenyl)-acetonitrile

Conditions

Conditions	Yield
With C40H62AlFN3O2(1+)*CF3O3S(1-) In chloroform; 1,2-dichloro-ethane at -60℃; for 72h; Schlenk technique; Inert atmosphere;	99%

...Expand

: potassium cyanide

: 135-02-4
ortho-anisaldehyde

: 1609-47-8
diethyl dicarbonate

: 2-ethoxycarbonyl (R)-2-hydroxy-2-(2-methoxyphenyl)-acetonitrile

Conditions

Conditions	Yield
With C40H62AlFN3O2(1+)*CF3O3S(1-) In chloroform; 1,2-dichloro-ethane at -60℃; for 72h; Schlenk technique; Inert atmosphere;	99%

...Expand

: potassium cyanide

: 459-57-4
4-fluorobenzaldehyde

: 1609-47-8
diethyl dicarbonate

: 2-ethoxycarbonyl (R)-2-hydroxy-2-(4-fluorophenyl)-acetonitrile

Conditions

Conditions	Yield
With C40H62AlFN3O2(1+)*CF3O3S(1-) In chloroform; 1,2-dichloro-ethane at -60℃; for 72h; Schlenk technique; Inert atmosphere;	99%

...Expand

: 14371-10-9
(E)-3-phenylpropenal

: potassium cyanide

: 1609-47-8
diethyl dicarbonate

: 2-ethoxycarbonyl (R)-2-hydroxy-2-phenyl-but-3-enonitrile

Conditions

Conditions	Yield
With C40H62AlFN3O2(1+)*CF3O3S(1-) In chloroform; 1,2-dichloro-ethane at -60℃; for 72h; Schlenk technique; Inert atmosphere;	99%

...Expand

: 122554-42-1
3-Methyl-4-<(E)-5-(2-tetrahydropyranyloxy)-3-pentenyl>-2-cyclopenten-1-one

: 1609-47-8
diethyl dicarbonate

: 143698-54-8, 143731-56-0
Ethyl 4-Methyl-2-oxo-5-<(E)-5-(2-tetrahydropyranyloxy)-3-pentenyl>-3-cyclopentene-1-carboxylate

Conditions

Conditions	Yield
With n-butyllithium; N-cyclohexyl-cyclohexanamine In diethyl ether at -78℃; for 1h;	98%

: 30516-87-1
3'-azido-2',3'-deoxythymidine

: 1609-47-8
diethyl dicarbonate

: 3'-azido-3'-deoxy-5'-O-ethoxycarbonylthymidine

Conditions

Conditions	Yield
With dmap In pyridine for 1h; Ambient temperature;	98%

: 150-19-6
O-methylresorcine

: 1609-47-8
diethyl dicarbonate

: 35030-97-8
ethyl 3-methoxyphenyl carbonate

Conditions

Conditions	Yield
With magnesium(II) perchlorate at 40℃; for 2h;	98%

Diethyl pyrocarbonate Consensus Reports

Reported in EPA TSCA Inventory.

Diethyl pyrocarbonate Specification

The Diethyl dicarbonate, with the CAS registry number 1609-47-8 and EINECS registry number 216-542-8, has the IUPAC name of ethoxycarbonyl ethyl carbonate. It is a kind of moisture sensitive liquid, and should be stored at 2-8°C. And the molecular formula of this chemical is C₆H₁₀O₅.

The physical properties of Diethyl dicarbonate are as following: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.48; (4)ACD/LogD (pH 7.4): 1.48; (5)ACD/BCF (pH 5.5): 7.89; (6)ACD/BCF (pH 7.4): 7.89; (7)ACD/KOC (pH 5.5): 152.68; (8)ACD/KOC (pH 7.4): 152.68; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.413; (14)Molar Refractivity: 35.14 cm³; (15)Molar Volume: 140.9 cm³; (16)Polarizability: 13.93×10^-24cm³; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 1.15 g/cm³; (19)Flash Point: 69.4 °C; (20)Enthalpy of Vaporization: 43.75 kJ/mol; (21)Boiling Point: 201.3 °C at 760 mmHg; (22)Vapour Pressure: 0.31 mmHg at 25°C.

Uses of Diethyl dicarbonate: It can react with 2,2-dimethyl-2,5-dihydro-thiazole to produce 2,2-dimethyl-thiazole-3-carboxylic acid ethyl ester. This reaction will need reagent Pr₃N, and the solvent toluene. The reaction time is 144 hours with heating, and the yield is about 90%.

Diethyl dicarbonate can react with 2,2-dimethyl-2,5-dihydro-thiazole to produce 2,2-dimethyl-thiazole-3-carboxylic acid ethyl ester

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and it is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)OC(=O)OCC
(2)InChI: InChI=1/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3
(3)InChIKey: FFYPMLJYZAEMQB-UHFFFAOYAU

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD50	oral	100mg/kg (100mg/kg)		FAO Nutrition Meetings Report Series. Vol. 53A, Pg. 52, 1974.
dog	LD50	oral	500mg/kg (500mg/kg)		FAO Nutrition Meetings Report Series. Vol. 53A, Pg. 52, 1974.
guinea pig	LCLo	inhalation	10ppm/1H (10ppm)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA	FAO Nutrition Meetings Report Series. Vol. 51A, Pg. 67, 1972.
mouse	LCLo	inhalation	10ppm/1H (10ppm)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA	FAO Nutrition Meetings Report Series. Vol. 51A, Pg. 67, 1972.
mouse	LD50	oral	1558mg/kg (1558mg/kg)		FAO Nutrition Meetings Report Series. Vol. 53A, Pg. 52, 1974.
rabbit	LCLo	inhalation	10ppm/1H (10ppm)	LUNGS, THORAX, OR RESPIRATION: DYSPNEA	FAO Nutrition Meetings Report Series. Vol. 51A, Pg. 67, 1972.
rabbit	LD50	oral	500mg/kg (500mg/kg)		FAO Nutrition Meetings Report Series. Vol. 53A, Pg. 52, 1974.
rat	LCLo	inhalation	10gm/m³/1H (10000mg/m³)		Zeitschrift fuer Lebensmittel-Untersuchung und-Forschung. Vol. 114, Pg. 292, 1961.
rat	LD50	intraperitoneal	47mg/kg (47mg/kg)		FAO Nutrition Meetings Report Series. Vol. 53A, Pg. 52, 1974.
rat	LD50	oral	850mg/kg (850mg/kg)		FAO Nutrition Meetings Report Series. Vol. 51A, Pg. 67, 1972.

Product Name

Diethyl pyrocarbonate

Synthetic route

Diethyl pyrocarbonate Consensus Reports

Diethyl pyrocarbonate Specification

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