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).

1 – 15 of 112 results

Ethyl acetoacetate, 99%, pure, Thermo Scientific Chemicals

CAS: 141-97-9 Molecular Formula: C₆H₁₀O₃ Molecular Weight (g/mol): 130.14 MDL Number: MFCD00009199 InChI Key: XYIBRDXRRQCHLP-UHFFFAOYSA-N Synonym: 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 PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: ethyl 3-oxobutanoate SMILES: CCOC(=O)CC(=O)C

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PubChem CID	8868
CAS	141-97-9
Molecular Weight (g/mol)	130.14
ChEBI	CHEBI:4893
MDL Number	MFCD00009199
SMILES	CCOC(=O)CC(=O)C
Synonym	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
IUPAC Name	ethyl 3-oxobutanoate
InChI Key	XYIBRDXRRQCHLP-UHFFFAOYSA-N
Molecular Formula	C₆H₁₀O₃

Malonic acid, 99%, Thermo Scientific Chemicals

CAS: 141-82-2 Molecular Formula: C3H4O4 Molecular Weight (g/mol): 104.061 MDL Number: MFCD00002707 InChI Key: OFOBLEOULBTSOW-UHFFFAOYSA-N Synonym: malonic acid,dicarboxymethane,carboxyacetic acid,methanedicarboxylic acid,kyselina malonova,usaf ek-695,dicarboxylate,dicarboxylic acid,kyselina malonova czech,propanediolic acid PubChem CID: 867 ChEBI: CHEBI:30794 IUPAC Name: propanedioic acid SMILES: C(C(=O)O)C(=O)O

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PubChem CID	867
CAS	141-82-2
Molecular Weight (g/mol)	104.061
ChEBI	CHEBI:30794
MDL Number	MFCD00002707
SMILES	C(C(=O)O)C(=O)O
Synonym	malonic acid,dicarboxymethane,carboxyacetic acid,methanedicarboxylic acid,kyselina malonova,usaf ek-695,dicarboxylate,dicarboxylic acid,kyselina malonova czech,propanediolic acid
IUPAC Name	propanedioic acid
InChI Key	OFOBLEOULBTSOW-UHFFFAOYSA-N
Molecular Formula	C3H4O4

Diethyl malonate, 99+%, Thermo Scientific Chemicals

CAS: 105-53-3 Molecular Formula: C₇H₁₂O₄ Molecular Weight (g/mol): 160.17 InChI Key: IYXGSMUGOJNHAZ-UHFFFAOYSA-N Synonym: diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van PubChem CID: 7761 IUPAC Name: diethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC

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PubChem CID	7761
CAS	105-53-3
Molecular Weight (g/mol)	160.17
SMILES	CCOC(=O)CC(=O)OCC
Synonym	diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van
IUPAC Name	diethyl propanedioate
InChI Key	IYXGSMUGOJNHAZ-UHFFFAOYSA-N
Molecular Formula	C₇H₁₂O₄

Diethyl malonate, 99%, Thermo Scientific Chemicals

CAS: 105-53-3 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00009195 InChI Key: IYXGSMUGOJNHAZ-UHFFFAOYSA-N Synonym: diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van PubChem CID: 7761 IUPAC Name: diethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC

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PubChem CID	7761
CAS	105-53-3
Molecular Weight (g/mol)	160.169
MDL Number	MFCD00009195
SMILES	CCOC(=O)CC(=O)OCC
Synonym	diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van
IUPAC Name	diethyl propanedioate
InChI Key	IYXGSMUGOJNHAZ-UHFFFAOYSA-N
Molecular Formula	C7H12O4

Dimethyl malonate, 98+%, Thermo Scientific Chemicals

CAS: 108-59-8 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 MDL Number: MFCD00008460 InChI Key: BEPAFCGSDWSTEL-UHFFFAOYSA-N Synonym: dimethyl malonate,methyl malonate,propanedioic acid, dimethyl ester,malonic acid dimethyl ester,1,3-dimethyl propanedioate,dimethyl 1,3-propanedioate,malonic acid, dimethyl ester,unii-em8y79998c,ccris 8981,propanedioic acid dimethyl ester PubChem CID: 7943 IUPAC Name: dimethyl propanedioate SMILES: COC(=O)CC(=O)OC

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PubChem CID	7943
CAS	108-59-8
Molecular Weight (g/mol)	132.115
MDL Number	MFCD00008460
SMILES	COC(=O)CC(=O)OC
Synonym	dimethyl malonate,methyl malonate,propanedioic acid, dimethyl ester,malonic acid dimethyl ester,1,3-dimethyl propanedioate,dimethyl 1,3-propanedioate,malonic acid, dimethyl ester,unii-em8y79998c,ccris 8981,propanedioic acid dimethyl ester
IUPAC Name	dimethyl propanedioate
InChI Key	BEPAFCGSDWSTEL-UHFFFAOYSA-N
Molecular Formula	C5H8O4

Malonic acid, 99%, Thermo Scientific Chemicals

CAS: 141-82-2 Molecular Formula: C₃H₄O₄ Molecular Weight (g/mol): 104.06 InChI Key: OFOBLEOULBTSOW-UHFFFAOYSA-N Synonym: malonic acid,dicarboxymethane,carboxyacetic acid,methanedicarboxylic acid,kyselina malonova,usaf ek-695,dicarboxylate,dicarboxylic acid,kyselina malonova czech,propanediolic acid PubChem CID: 867 ChEBI: CHEBI:30794 IUPAC Name: propanedioic acid SMILES: C(C(=O)O)C(=O)O

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PubChem CID	867
CAS	141-82-2
Molecular Weight (g/mol)	104.06
ChEBI	CHEBI:30794
SMILES	C(C(=O)O)C(=O)O
Synonym	malonic acid,dicarboxymethane,carboxyacetic acid,methanedicarboxylic acid,kyselina malonova,usaf ek-695,dicarboxylate,dicarboxylic acid,kyselina malonova czech,propanediolic acid
IUPAC Name	propanedioic acid
InChI Key	OFOBLEOULBTSOW-UHFFFAOYSA-N
Molecular Formula	C₃H₄O₄

tert-Butyl acetoacetate, 97%, Thermo Scientific Chemicals

CAS: 1694-31-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00008811 InChI Key: JKUYRAMKJLMYLO-UHFFFAOYSA-N Synonym: tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate PubChem CID: 15538 IUPAC Name: tert-butyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OC(C)(C)C

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PubChem CID	15538
CAS	1694-31-1
Molecular Weight (g/mol)	158.197
MDL Number	MFCD00008811
SMILES	CC(=O)CC(=O)OC(C)(C)C
Synonym	tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate
IUPAC Name	tert-butyl 3-oxobutanoate
InChI Key	JKUYRAMKJLMYLO-UHFFFAOYSA-N
Molecular Formula	C8H14O3

Dibenzyl malonate, 95%, Thermo Scientific Chemicals

CAS: 15014-25-2 Molecular Formula: C17H16O4 Molecular Weight (g/mol): 284.311 MDL Number: MFCD00004779 InChI Key: RYFCSKVXWRJEOB-UHFFFAOYSA-N Synonym: 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 PubChem CID: 84754 IUPAC Name: dibenzyl propanedioate SMILES: C1=CC=C(C=C1)COC(=O)CC(=O)OCC2=CC=CC=C2

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PubChem CID	84754
CAS	15014-25-2
Molecular Weight (g/mol)	284.311
MDL Number	MFCD00004779
SMILES	C1=CC=C(C=C1)COC(=O)CC(=O)OCC2=CC=CC=C2
Synonym	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
IUPAC Name	dibenzyl propanedioate
InChI Key	RYFCSKVXWRJEOB-UHFFFAOYSA-N
Molecular Formula	C17H16O4

Diethyl allylmalonate, 96%, Thermo Scientific Chemicals

CAS: 2049-80-1 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.234 MDL Number: MFCD00009155 InChI Key: GDWAYKGILJJNBB-UHFFFAOYSA-N Synonym: diethyl allylmalonate,ethyl allylmalonate,diethyl 2-allylmalonate,allylmalonic acid diethyl ester,diethyl prop-2-enylpropanedioate,diethyl 2-prop-2-enyl malonate,malonic acid, allyl-, diethyl ester,propanedioic acid, 2-propenyl-, diethyl ester,diethyl 2-2-propenyl-1,3-propanedioate,allyl malonic acid PubChem CID: 74900 IUPAC Name: diethyl 2-prop-2-enylpropanedioate SMILES: CCOC(=O)C(CC=C)C(=O)OCC

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PubChem CID	74900
CAS	2049-80-1
Molecular Weight (g/mol)	200.234
MDL Number	MFCD00009155
SMILES	CCOC(=O)C(CC=C)C(=O)OCC
Synonym	diethyl allylmalonate,ethyl allylmalonate,diethyl 2-allylmalonate,allylmalonic acid diethyl ester,diethyl prop-2-enylpropanedioate,diethyl 2-prop-2-enyl malonate,malonic acid, allyl-, diethyl ester,propanedioic acid, 2-propenyl-, diethyl ester,diethyl 2-2-propenyl-1,3-propanedioate,allyl malonic acid
IUPAC Name	diethyl 2-prop-2-enylpropanedioate
InChI Key	GDWAYKGILJJNBB-UHFFFAOYSA-N
Molecular Formula	C10H16O4

Acetoacetamide, 97%, Thermo Scientific Chemicals

CAS: 5977-14-0 InChI Key: GCPWJFKTWGFEHH-UHFFFAOYSA-N Synonym: acetoacetamide,acetylacetamide,acetoacetic acid amide,butanamide, 3-oxo,3-oxobutanamid,unii-6o9u7cfy0t,6o9u7cfy0t,3-oxobutyramide,acmc-20alv9 PubChem CID: 80077 ChEBI: CHEBI:28515 IUPAC Name: 3-oxobutanamide SMILES: CC(=O)CC(=O)N

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PubChem CID	80077
CAS	5977-14-0
ChEBI	CHEBI:28515
SMILES	CC(=O)CC(=O)N
Synonym	acetoacetamide,acetylacetamide,acetoacetic acid amide,butanamide, 3-oxo,3-oxobutanamid,unii-6o9u7cfy0t,6o9u7cfy0t,3-oxobutyramide,acmc-20alv9
IUPAC Name	3-oxobutanamide
InChI Key	GCPWJFKTWGFEHH-UHFFFAOYSA-N

Ethyl acetoacetate, 99+%, extra pure, Thermo Scientific Chemicals

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PubChem CID	8868
CAS	141-97-9
Molecular Weight (g/mol)	130.14
ChEBI	CHEBI:4893
MDL Number	MFCD00009199
SMILES	CCOC(=O)CC(=O)C
Synonym	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
IUPAC Name	ethyl 3-oxobutanoate
InChI Key	XYIBRDXRRQCHLP-UHFFFAOYSA-N
Molecular Formula	C₆H₁₀O₃

Malonic acid disodium salt, 99%, Thermo Scientific Chemicals

CAS: 141-95-7 Molecular Formula: C3H2Na2O4 Molecular Weight (g/mol): 148.025 MDL Number: MFCD00002708 InChI Key: PRWXGRGLHYDWPS-UHFFFAOYSA-L Synonym: sodium malonate,disodium malonate,propanedioic acid, disodium salt,malonic acid disodium salt,disodium propanedioate,malonic acid, sodium salt,unii-9qwe64m39h,propanedioic acid, sodium salt 1:2,malonic acid, disodium salt,dicarboxymethane disodium salt PubChem CID: 8865 ChEBI: CHEBI:62983 IUPAC Name: disodium;propanedioate SMILES: C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]

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PubChem CID	8865
CAS	141-95-7
Molecular Weight (g/mol)	148.025
ChEBI	CHEBI:62983
MDL Number	MFCD00002708
SMILES	C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Synonym	sodium malonate,disodium malonate,propanedioic acid, disodium salt,malonic acid disodium salt,disodium propanedioate,malonic acid, sodium salt,unii-9qwe64m39h,propanedioic acid, sodium salt 1:2,malonic acid, disodium salt,dicarboxymethane disodium salt
IUPAC Name	disodium;propanedioate
InChI Key	PRWXGRGLHYDWPS-UHFFFAOYSA-L
Molecular Formula	C3H2Na2O4

Dimethyl malonate, 99+%, Thermo Scientific Chemicals

CAS: 108-59-8 Molecular Formula: C₅H₈O₄ Molecular Weight (g/mol): 132.12 MDL Number: MFCD00008460 InChI Key: BEPAFCGSDWSTEL-UHFFFAOYSA-N Synonym: dimethyl malonate,methyl malonate,propanedioic acid, dimethyl ester,malonic acid dimethyl ester,1,3-dimethyl propanedioate,dimethyl 1,3-propanedioate,malonic acid, dimethyl ester,unii-em8y79998c,ccris 8981,propanedioic acid dimethyl ester PubChem CID: 7943 IUPAC Name: dimethyl propanedioate SMILES: COC(=O)CC(=O)OC

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PubChem CID	7943
CAS	108-59-8
Molecular Weight (g/mol)	132.12
MDL Number	MFCD00008460
SMILES	COC(=O)CC(=O)OC
Synonym	dimethyl malonate,methyl malonate,propanedioic acid, dimethyl ester,malonic acid dimethyl ester,1,3-dimethyl propanedioate,dimethyl 1,3-propanedioate,malonic acid, dimethyl ester,unii-em8y79998c,ccris 8981,propanedioic acid dimethyl ester
IUPAC Name	dimethyl propanedioate
InChI Key	BEPAFCGSDWSTEL-UHFFFAOYSA-N
Molecular Formula	C₅H₈O₄

Diethyl (2,4-dichlorophenyl)malonate, 95%, Thermo Scientific Chemicals

CAS: 111544-93-5 Molecular Formula: C13H14Cl2O4 Molecular Weight (g/mol): 305.15 MDL Number: MFCD00831103 InChI Key: FIGCCTUCURBNIF-UHFFFAOYSA-N Synonym: 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 PubChem CID: 2736112 IUPAC Name: diethyl 2-(2,4-dichlorophenyl)propanedioate SMILES: CCOC(=O)C(C(=O)OCC)C1=CC=C(Cl)C=C1Cl

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PubChem CID	2736112
CAS	111544-93-5
Molecular Weight (g/mol)	305.15
MDL Number	MFCD00831103
SMILES	CCOC(=O)C(C(=O)OCC)C1=CC=C(Cl)C=C1Cl
Synonym	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
IUPAC Name	diethyl 2-(2,4-dichlorophenyl)propanedioate
InChI Key	FIGCCTUCURBNIF-UHFFFAOYSA-N
Molecular Formula	C13H14Cl2O4

Diethyl 2-(2-cyanoethyl)malonate, 98+%, Thermo Scientific Chemicals

CAS: 17216-62-5 Molecular Formula: C10H15NO4 Molecular Weight (g/mol): 213.233 MDL Number: MFCD00001966 InChI Key: YJJLOESDBPRZIP-UHFFFAOYSA-N PubChem CID: 87005 IUPAC Name: diethyl 2-(2-cyanoethyl)propanedioate SMILES: CCOC(=O)C(CCC#N)C(=O)OCC

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PubChem CID	87005
CAS	17216-62-5
Molecular Weight (g/mol)	213.233
MDL Number	MFCD00001966
SMILES	CCOC(=O)C(CCC#N)C(=O)OCC
IUPAC Name	diethyl 2-(2-cyanoethyl)propanedioate
InChI Key	YJJLOESDBPRZIP-UHFFFAOYSA-N
Molecular Formula	C10H15NO4

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