Dicarbonyl Compounds

Organic compounds that contain two carbonyl functional groups; a carbonyl functional group consists of a carbon atom with a double bond to an oxygen atom (C=O).

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Methylmalonic acid, 96%

CAS: 516-05-2 Formule moléculaire: C4H6O4 Poids moléculaire (g/mol): 118.09 Numéro MDL: MFCD00002656 Clé InChI: ZIYVHBGGAOATLY-UHFFFAOYSA-N Synonyme: methylmalonic acid,2-methylmalonic acid,isosuccinic acid,methylmalonate,propanedioic acid, methyl,1,1-ethanedicarboxylic acid,malonic acid, methyl,methyl malonic acid,methylpropanedioic acid,unii-8ll8s712j7 CID PubChem: 487 ChEBI: CHEBI:30860 Nom IUPAC: 2-methylpropanedioic acid SMILES: CC(C(O)=O)C(O)=O

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Poids moléculaire (g/mol)	118.09
Synonyme	methylmalonic acid,2-methylmalonic acid,isosuccinic acid,methylmalonate,propanedioic acid, methyl,1,1-ethanedicarboxylic acid,malonic acid, methyl,methyl malonic acid,methylpropanedioic acid,unii-8ll8s712j7
Numéro MDL	MFCD00002656
CAS	516-05-2
CID PubChem	487
ChEBI	CHEBI:30860
Nom IUPAC	2-methylpropanedioic acid
Clé InChI	ZIYVHBGGAOATLY-UHFFFAOYSA-N
SMILES	CC(C(O)=O)C(O)=O
Formule moléculaire	C4H6O4

Diethyl 1,3-acetonedicarboxylate, 95%

CAS: 105-50-0 Formule moléculaire: C9H14O5 Poids moléculaire (g/mol): 202.21 Numéro MDL: MFCD00009200 Clé InChI: ZSANYRMTSBBUCA-UHFFFAOYSA-N Synonyme: diethyl 1,3-acetonedicarboxylate,diethyl 3-oxoglutarate,1,5-diethyl 3-oxopentanedioate,pentanedioic acid, 3-oxo-, diethyl ester,ethyl acetonedicarboxylate,ethyl 3-oxoglutarate,diethyl acetone-1,3-dicarboxylate,diethyl acetone dicarboxylate,3-oxopentanedioic acid diethyl ester,acetonedicarboxylic acid diethyl ester CID PubChem: 66045 Nom IUPAC: diethyl 3-oxopentanedioate SMILES: CCOC(=O)CC(=O)CC(=O)OCC

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Poids moléculaire (g/mol)	202.21
Synonyme	diethyl 1,3-acetonedicarboxylate,diethyl 3-oxoglutarate,1,5-diethyl 3-oxopentanedioate,pentanedioic acid, 3-oxo-, diethyl ester,ethyl acetonedicarboxylate,ethyl 3-oxoglutarate,diethyl acetone-1,3-dicarboxylate,diethyl acetone dicarboxylate,3-oxopentanedioic acid diethyl ester,acetonedicarboxylic acid diethyl ester
Numéro MDL	MFCD00009200
CAS	105-50-0
CID PubChem	66045
Nom IUPAC	diethyl 3-oxopentanedioate
Clé InChI	ZSANYRMTSBBUCA-UHFFFAOYSA-N
SMILES	CCOC(=O)CC(=O)CC(=O)OCC
Formule moléculaire	C9H14O5

Malonyl dichloride, 97%

CAS: 1663-67-8 Formule moléculaire: C₃H₂Cl₂O₂ Poids moléculaire (g/mol): 140.95 Numéro MDL: MFCD00000735 Clé InChI: SXYFKXOFMCIXQW-UHFFFAOYSA-N Synonyme: malonyl chloride,malonyl dichloride,malonoyl chloride,malonic acid dichloride,malonoyl dichloride,malonic acid chloride,malonylchloride,methane-1,1-dicarbonyl chloride,malonylchlorid,malonyldichloride CID PubChem: 74269 Nom IUPAC: propanedioyl dichloride SMILES: C(C(=O)Cl)C(=O)Cl

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Poids moléculaire (g/mol)	140.95
Synonyme	malonyl chloride,malonyl dichloride,malonoyl chloride,malonic acid dichloride,malonoyl dichloride,malonic acid chloride,malonylchloride,methane-1,1-dicarbonyl chloride,malonylchlorid,malonyldichloride
Numéro MDL	MFCD00000735
CAS	1663-67-8
CID PubChem	74269
Nom IUPAC	propanedioyl dichloride
Clé InChI	SXYFKXOFMCIXQW-UHFFFAOYSA-N
SMILES	C(C(=O)Cl)C(=O)Cl
Formule moléculaire	C₃H₂Cl₂O₂

Dibenzyl malonate, 95%

CAS: 15014-25-2 Formule moléculaire: C17H16O4 Poids moléculaire (g/mol): 284.311 Numéro MDL: MFCD00004779 Clé InChI: RYFCSKVXWRJEOB-UHFFFAOYSA-N Synonyme: dibenzyl malonate,propanedioic acid, bis phenylmethyl ester,1,3-dibenzyl propanedioate,malonic acid dibenzyl ester,malonic acid dibenzyl,acmc-209d3u,diphenylmethyl propane-1,3-dioate,propanedioic acid,1,3-bis phenylmethyl ester,propanedioic acid, 1,3-bis phenylmethyl ester,s-3-amino-2-oxetanone p-toluenesulfonic acid salt boc protection form CID PubChem: 84754 Nom IUPAC: dibenzyl propanedioate SMILES: C1=CC=C(C=C1)COC(=O)CC(=O)OCC2=CC=CC=C2

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Poids moléculaire (g/mol)	284.311
Synonyme	dibenzyl malonate,propanedioic acid, bis phenylmethyl ester,1,3-dibenzyl propanedioate,malonic acid dibenzyl ester,malonic acid dibenzyl,acmc-209d3u,diphenylmethyl propane-1,3-dioate,propanedioic acid,1,3-bis phenylmethyl ester,propanedioic acid, 1,3-bis phenylmethyl ester,s-3-amino-2-oxetanone p-toluenesulfonic acid salt boc protection form
Numéro MDL	MFCD00004779
CAS	15014-25-2
CID PubChem	84754
Nom IUPAC	dibenzyl propanedioate
Clé InChI	RYFCSKVXWRJEOB-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)COC(=O)CC(=O)OCC2=CC=CC=C2
Formule moléculaire	C17H16O4

Diethyl tert-butylmalonate, 96%

CAS: 759-24-0 Formule moléculaire: C11H20O4 Poids moléculaire (g/mol): 216.28 Numéro MDL: MFCD00009152 Clé InChI: RJNICNBRGVKNSR-UHFFFAOYSA-N Synonyme: diethyl tert-butylmalonate,diethyl t-butylmalonate,diethyl 1,1-dimethylethyl malonate,diethyl 2-tert-butyl malonate,propanedioic acid, 1,1-dimethylethyl-, diethyl ester,diethyltert-butylmalonate,diethyl 2-tert-butylmalonate #,tert-butylmalonic acid diethyl ester,1,3-diethyl 2-tert-butylpropanedioate CID PubChem: 69798 Nom IUPAC: diethyl 2-tert-butylpropanedioate SMILES: CCOC(=O)C(C(=O)OCC)C(C)(C)C

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Poids moléculaire (g/mol)	216.28
Synonyme	diethyl tert-butylmalonate,diethyl t-butylmalonate,diethyl 1,1-dimethylethyl malonate,diethyl 2-tert-butyl malonate,propanedioic acid, 1,1-dimethylethyl-, diethyl ester,diethyltert-butylmalonate,diethyl 2-tert-butylmalonate #,tert-butylmalonic acid diethyl ester,1,3-diethyl 2-tert-butylpropanedioate
Numéro MDL	MFCD00009152
CAS	759-24-0
CID PubChem	69798
Nom IUPAC	diethyl 2-tert-butylpropanedioate
Clé InChI	RJNICNBRGVKNSR-UHFFFAOYSA-N
SMILES	CCOC(=O)C(C(=O)OCC)C(C)(C)C
Formule moléculaire	C11H20O4

Ethyl propionylacetate, 95%

CAS: 4949-44-4 Formule moléculaire: C7H12O3 Poids moléculaire (g/mol): 144.17 Numéro MDL: MFCD00009317 Clé InChI: UDRCONFHWYGWFI-UHFFFAOYSA-N Synonyme: ethyl propionylacetate,ethyl 3-oxovalerate,ethyl 3-oxo-n-valerate,pentanoic acid, 3-oxo-, ethyl ester,3-oxopentanoic acid ethyl ester,3-oxo-pentanoic acid ethyl ester,ethyl 3-ketopentanoate,3-oxovaleric acid ethyl ester,propionylacetic acid ethyl ester,ethylpropanylacetate CID PubChem: 78656 Nom IUPAC: ethyl 3-oxopentanoate SMILES: CCC(=O)CC(=O)OCC

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Poids moléculaire (g/mol)	144.17
Synonyme	ethyl propionylacetate,ethyl 3-oxovalerate,ethyl 3-oxo-n-valerate,pentanoic acid, 3-oxo-, ethyl ester,3-oxopentanoic acid ethyl ester,3-oxo-pentanoic acid ethyl ester,ethyl 3-ketopentanoate,3-oxovaleric acid ethyl ester,propionylacetic acid ethyl ester,ethylpropanylacetate
Numéro MDL	MFCD00009317
CAS	4949-44-4
CID PubChem	78656
Nom IUPAC	ethyl 3-oxopentanoate
Clé InChI	UDRCONFHWYGWFI-UHFFFAOYSA-N
SMILES	CCC(=O)CC(=O)OCC
Formule moléculaire	C7H12O3

Methyl malonyl chloride, 97%

CAS: 37517-81-0 Formule moléculaire: C4H5ClO3 Poids moléculaire (g/mol): 136.531 Numéro MDL: MFCD00013657 Clé InChI: UTBCRHAMJFMIIR-UHFFFAOYSA-N CID PubChem: 123460 Nom IUPAC: methyl 3-chloro-3-oxopropanoate SMILES: COC(=O)CC(=O)Cl

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Poids moléculaire (g/mol)	136.531
Numéro MDL	MFCD00013657
CAS	37517-81-0
CID PubChem	123460
Nom IUPAC	methyl 3-chloro-3-oxopropanoate
Clé InChI	UTBCRHAMJFMIIR-UHFFFAOYSA-N
SMILES	COC(=O)CC(=O)Cl
Formule moléculaire	C4H5ClO3

Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate, 98+%

CAS: 6289-46-9 Formule moléculaire: C10H12O6 Poids moléculaire (g/mol): 228.20 Numéro MDL: MFCD00001607 Clé InChI: MHKKFFHWMKEBDW-UHFFFAOYNA-N Synonyme: dimethyl succinylsuccinate,dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate,succinosuccinic acid, dimethyl ester,dmss,dimethyl succinylosuccinate,dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate,dimethyl succinylo succinate,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester,2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester CID PubChem: 94866 Nom IUPAC: dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate SMILES: COC(=O)C1CC(=O)C(CC1=O)C(=O)OC

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Poids moléculaire (g/mol)	228.20
Synonyme	dimethyl succinylsuccinate,dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate,succinosuccinic acid, dimethyl ester,dmss,dimethyl succinylosuccinate,dimethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate,dimethyl succinylo succinate,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, dimethyl ester,2,5-dioxo-1,4-cyclohexanedicarboxylic acid dimethyl ester,1,4-cyclohexanedicarboxylic acid, 2,5-dioxo-, 1,4-dimethyl ester
Numéro MDL	MFCD00001607
CAS	6289-46-9
CID PubChem	94866
Nom IUPAC	dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
Clé InChI	MHKKFFHWMKEBDW-UHFFFAOYNA-N
SMILES	COC(=O)C1CC(=O)C(CC1=O)C(=O)OC
Formule moléculaire	C10H12O6

Ethyl acetoacetate, 99+%, extra pure

CAS: 141-97-9 Formule moléculaire: C₆H₁₀O₃ Poids moléculaire (g/mol): 130.14 Numéro MDL: MFCD00009199 Clé InChI: XYIBRDXRRQCHLP-UHFFFAOYSA-N Synonyme: ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate CID PubChem: 8868 ChEBI: CHEBI:4893 Nom IUPAC: ethyl 3-oxobutanoate SMILES: CCOC(=O)CC(=O)C

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Poids moléculaire (g/mol)	130.14
Synonyme	ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate
Numéro MDL	MFCD00009199
CAS	141-97-9
CID PubChem	8868
ChEBI	CHEBI:4893
Nom IUPAC	ethyl 3-oxobutanoate
Clé InChI	XYIBRDXRRQCHLP-UHFFFAOYSA-N
SMILES	CCOC(=O)CC(=O)C
Formule moléculaire	C₆H₁₀O₃

Ethyl hydrogen malonate, 96%

CAS: 1071-46-1 Formule moléculaire: C5H8O4 Poids moléculaire (g/mol): 132.115 Numéro MDL: MFCD00020490 Clé InChI: HGINADPHJQTSKN-UHFFFAOYSA-N Synonyme: ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate CID PubChem: 70615 ChEBI: CHEBI:86907 Nom IUPAC: 3-ethoxy-3-oxopropanoic acid SMILES: CCOC(=O)CC(=O)O

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Poids moléculaire (g/mol)	132.115
Synonyme	ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate
Numéro MDL	MFCD00020490
CAS	1071-46-1
CID PubChem	70615
ChEBI	CHEBI:86907
Nom IUPAC	3-ethoxy-3-oxopropanoic acid
Clé InChI	HGINADPHJQTSKN-UHFFFAOYSA-N
SMILES	CCOC(=O)CC(=O)O
Formule moléculaire	C5H8O4

Ethyl potassium malonate, 98%

CAS: 6148-64-7 Formule moléculaire: C₅H₇KO₄ Poids moléculaire (g/mol): 170.2 Numéro MDL: MFCD00035603 Clé InChI: WVUCPRGADMCTBN-UHFFFAOYSA-M Synonyme: ethyl potassium malonate,potassium 3-ethoxy-3-oxopropanoate,potassium ethyl malonate,potassium monoethyl malonate,monoethyl malonate potassium salt,malonic acid monoethyl ester potassium salt,monoethyl potassium malonate,ethyl malonate potassium salt,propanedioic acid, monoethyl ester, potassium salt,ethylpotassiummalonate CID PubChem: 3446434 Nom IUPAC: potassium;3-ethoxy-3-oxopropanoate SMILES: CCOC(=O)CC(=O)[O-].[K+]

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Poids moléculaire (g/mol)	170.2
Synonyme	ethyl potassium malonate,potassium 3-ethoxy-3-oxopropanoate,potassium ethyl malonate,potassium monoethyl malonate,monoethyl malonate potassium salt,malonic acid monoethyl ester potassium salt,monoethyl potassium malonate,ethyl malonate potassium salt,propanedioic acid, monoethyl ester, potassium salt,ethylpotassiummalonate
Numéro MDL	MFCD00035603
CAS	6148-64-7
CID PubChem	3446434
Nom IUPAC	potassium;3-ethoxy-3-oxopropanoate
Clé InChI	WVUCPRGADMCTBN-UHFFFAOYSA-M
SMILES	CCOC(=O)CC(=O)[O-].[K+]
Formule moléculaire	C₅H₇KO₄

Ethyl 2-cyanoacetoacetate

CAS: 634-55-9 Formule moléculaire: C7H9NO3 Poids moléculaire (g/mol): 155.15 Numéro MDL: MFCD00043487 Clé InChI: NWOKVFOTWMZMHL-UHFFFAOYNA-N Synonyme: ethyl 2-cyanoacetoacetate,ethyl 2-acetylcyanoacetate,ethyl a-cyanoacetoacetate,ethyl alpha-cyanoacetoacetate,butanoic acid, 2-cyano-3-oxo-, ethyl ester,ethyl2-acetylcyanoacetate,ethyl 2-cyano-3-oxo-butanoate,2-cyanoacetoacetic acid ethyl ester,2-cyano-3-oxo-butyric acid ethyl ester,zlchem 939 CID PubChem: 136455 ChEBI: CHEBI:51924 Nom IUPAC: ethyl 2-cyano-3-oxobutanoate SMILES: CCOC(=O)C(C#N)C(C)=O

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Poids moléculaire (g/mol)	155.15
Synonyme	ethyl 2-cyanoacetoacetate,ethyl 2-acetylcyanoacetate,ethyl a-cyanoacetoacetate,ethyl alpha-cyanoacetoacetate,butanoic acid, 2-cyano-3-oxo-, ethyl ester,ethyl2-acetylcyanoacetate,ethyl 2-cyano-3-oxo-butanoate,2-cyanoacetoacetic acid ethyl ester,2-cyano-3-oxo-butyric acid ethyl ester,zlchem 939
Numéro MDL	MFCD00043487
CAS	634-55-9
CID PubChem	136455
ChEBI	CHEBI:51924
Nom IUPAC	ethyl 2-cyano-3-oxobutanoate
Clé InChI	NWOKVFOTWMZMHL-UHFFFAOYNA-N
SMILES	CCOC(=O)C(C#N)C(C)=O
Formule moléculaire	C7H9NO3

Diethyl (2,4-dichlorophenyl)malonate, 95%

CAS: 111544-93-5 Formule moléculaire: C13H14Cl2O4 Poids moléculaire (g/mol): 305.15 Numéro MDL: MFCD00831103 Clé InChI: FIGCCTUCURBNIF-UHFFFAOYSA-N Synonyme: diethyl 2-2,4-dichlorophenyl malonate,diethyl 2,4-dichlorophenyl malonate,1,3-diethyl 2-2,4-dichlorophenyl propanedioate,diethyl 2-2,4-dichlorophenyl propanedioate,diethyl 2,4-dichlorophenyl propanedioate,diethyl 2,4-dichlorophenylmalonate,2-2,4-dichloro-phenyl-malonic acid diethyl ester,propanedioic acid,2-2,4-dichlorophenyl-,1,3-diethyl ester CID PubChem: 2736112 Nom IUPAC: diethyl 2-(2,4-dichlorophenyl)propanedioate SMILES: CCOC(=O)C(C(=O)OCC)C1=CC=C(Cl)C=C1Cl

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Poids moléculaire (g/mol)	305.15
Synonyme	diethyl 2-2,4-dichlorophenyl malonate,diethyl 2,4-dichlorophenyl malonate,1,3-diethyl 2-2,4-dichlorophenyl propanedioate,diethyl 2-2,4-dichlorophenyl propanedioate,diethyl 2,4-dichlorophenyl propanedioate,diethyl 2,4-dichlorophenylmalonate,2-2,4-dichloro-phenyl-malonic acid diethyl ester,propanedioic acid,2-2,4-dichlorophenyl-,1,3-diethyl ester
Numéro MDL	MFCD00831103
CAS	111544-93-5
CID PubChem	2736112
Nom IUPAC	diethyl 2-(2,4-dichlorophenyl)propanedioate
Clé InChI	FIGCCTUCURBNIF-UHFFFAOYSA-N
SMILES	CCOC(=O)C(C(=O)OCC)C1=CC=C(Cl)C=C1Cl
Formule moléculaire	C13H14Cl2O4

Mono-Ethyl malonate, 95%

CAS: 1071-46-1 Formule moléculaire: C₅H₈O₄ Poids moléculaire (g/mol): 132.11 Numéro MDL: MFCD00020490 Clé InChI: HGINADPHJQTSKN-UHFFFAOYSA-N Synonyme: ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate CID PubChem: 70615 ChEBI: CHEBI:86907 Nom IUPAC: 3-ethoxy-3-oxopropanoic acid SMILES: CCOC(=O)CC(=O)O

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Poids moléculaire (g/mol)	132.11
Synonyme	ethyl hydrogen malonate,monoethyl malonate,monoethyl malonic acid,mono-ethyl malonate,monoethyl hydrogen malonate,malonic acid monoethyl ester,ethoxycarbonyl acetic acid,2-ethoxycarbonyl acetic acid,3-ethoxy-3-oxo-propanoic acid,ethylhydrogenmalonate
Numéro MDL	MFCD00020490
CAS	1071-46-1
CID PubChem	70615
ChEBI	CHEBI:86907
Nom IUPAC	3-ethoxy-3-oxopropanoic acid
Clé InChI	HGINADPHJQTSKN-UHFFFAOYSA-N
SMILES	CCOC(=O)CC(=O)O
Formule moléculaire	C₅H₈O₄

Malonic acid, Reagent Grade, 99.5+%

CAS: 141-82-2 Formule moléculaire: C3H4O4 Poids moléculaire (g/mol): 104.061 Numéro MDL: MFCD00002707 Clé InChI: OFOBLEOULBTSOW-UHFFFAOYSA-N Synonyme: malonic acid,dicarboxymethane,carboxyacetic acid,methanedicarboxylic acid,kyselina malonova,usaf ek-695,dicarboxylate,dicarboxylic acid,kyselina malonova czech,propanediolic acid CID PubChem: 867 ChEBI: CHEBI:30794 Nom IUPAC: propanedioic acid SMILES: C(C(=O)O)C(=O)O

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Poids moléculaire (g/mol)	104.061
Synonyme	malonic acid,dicarboxymethane,carboxyacetic acid,methanedicarboxylic acid,kyselina malonova,usaf ek-695,dicarboxylate,dicarboxylic acid,kyselina malonova czech,propanediolic acid
Numéro MDL	MFCD00002707
CAS	141-82-2
CID PubChem	867
ChEBI	CHEBI:30794
Nom IUPAC	propanedioic acid
Clé InChI	OFOBLEOULBTSOW-UHFFFAOYSA-N
SMILES	C(C(=O)O)C(=O)O
Formule moléculaire	C3H4O4

Dicarbonyl Compounds

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