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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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Percent Purity 
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Physical Form

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1 – 15 of 39 results
1

Diethyl malonate, 99+%

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

EDGE
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
2

tert-Butyl acetoacetate, 97%

CAS: 1694-31-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.2 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

EDGE
PubChem CID 15538
CAS 1694-31-1
Molecular Weight (g/mol) 158.2
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
3

Ethyl acetoacetate, 99%, pure

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

EDGE
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
4

Ethyl acetoacetate, 99+%, extra pure

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

EDGE
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
5

Acetoacetamide, 97%

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

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
6

Dimethyl malonate, 99+%

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

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
7

Di-tert-butyl malonate, 98%

CAS: 541-16-2 MDL Number: MFCD00008810 InChI Key: CLPHAYNBNTVRDI-UHFFFAOYSA-N Synonym: di-tert-butyl malonate,malonic acid di-tert-butyl ester,propanedioic acid, bis 1,1-dimethylethyl ester,di-t-butylmalonate,di-t-butyl malonate,unii-7e9xwt9380,1,3-di-tert-butyl propanedioate,di tert-butyl malonate,tert-butyl 2-tert-butoxycarbonyl acetate,di-tert-butyl malonate, stab. with potassium carbonate PubChem CID: 68324 IUPAC Name: ditert-butyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OC(C)(C)C

PubChem CID 68324
CAS 541-16-2
MDL Number MFCD00008810
SMILES CC(C)(C)OC(=O)CC(=O)OC(C)(C)C
Synonym di-tert-butyl malonate,malonic acid di-tert-butyl ester,propanedioic acid, bis 1,1-dimethylethyl ester,di-t-butylmalonate,di-t-butyl malonate,unii-7e9xwt9380,1,3-di-tert-butyl propanedioate,di tert-butyl malonate,tert-butyl 2-tert-butoxycarbonyl acetate,di-tert-butyl malonate, stab. with potassium carbonate
IUPAC Name ditert-butyl propanedioate
InChI Key CLPHAYNBNTVRDI-UHFFFAOYSA-N
8

Malonyl dichloride, 97%

CAS: 1663-67-8 Molecular Formula: C3H2Cl2O2 Molecular Weight (g/mol): 140.95 MDL Number: MFCD00000735 InChI Key: SXYFKXOFMCIXQW-UHFFFAOYSA-N Synonym: malonyl chloride,malonyl dichloride,malonoyl chloride,malonic acid dichloride,malonoyl dichloride,malonic acid chloride,malonylchloride,methane-1,1-dicarbonyl chloride,malonylchlorid,malonyldichloride PubChem CID: 74269 IUPAC Name: propanedioyl dichloride SMILES: C(C(=O)Cl)C(=O)Cl

PubChem CID 74269
CAS 1663-67-8
Molecular Weight (g/mol) 140.95
MDL Number MFCD00000735
SMILES C(C(=O)Cl)C(=O)Cl
Synonym malonyl chloride,malonyl dichloride,malonoyl chloride,malonic acid dichloride,malonoyl dichloride,malonic acid chloride,malonylchloride,methane-1,1-dicarbonyl chloride,malonylchlorid,malonyldichloride
IUPAC Name propanedioyl dichloride
InChI Key SXYFKXOFMCIXQW-UHFFFAOYSA-N
Molecular Formula C3H2Cl2O2
9

Methyl malonyl chloride, 97%

CAS: 37517-81-0 Molecular Formula: C4H5ClO3 Molecular Weight (g/mol): 136.53 MDL Number: MFCD00013657 InChI Key: UTBCRHAMJFMIIR-UHFFFAOYSA-N PubChem CID: 123460 IUPAC Name: methyl 3-chloro-3-oxopropanoate SMILES: COC(=O)CC(=O)Cl

PubChem CID 123460
CAS 37517-81-0
Molecular Weight (g/mol) 136.53
MDL Number MFCD00013657
SMILES COC(=O)CC(=O)Cl
IUPAC Name methyl 3-chloro-3-oxopropanoate
InChI Key UTBCRHAMJFMIIR-UHFFFAOYSA-N
Molecular Formula C4H5ClO3
10

Methylmalonic acid, 96%

CAS: 516-05-2 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.09 MDL Number: MFCD00002656 InChI Key: ZIYVHBGGAOATLY-UHFFFAOYSA-N Synonym: 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 PubChem CID: 487 ChEBI: CHEBI:30860 IUPAC Name: 2-methylpropanedioic acid SMILES: CC(C(O)=O)C(O)=O

PubChem CID 487
CAS 516-05-2
Molecular Weight (g/mol) 118.09
ChEBI CHEBI:30860
MDL Number MFCD00002656
SMILES CC(C(O)=O)C(O)=O
Synonym 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
IUPAC Name 2-methylpropanedioic acid
InChI Key ZIYVHBGGAOATLY-UHFFFAOYSA-N
Molecular Formula C4H6O4
11

Diethyl ethylmalonate, 99%

CAS: 133-13-1 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.22 MDL Number: MFCD00009167 InChI Key: VQAZCUCWHIIFGE-UHFFFAOYSA-N Synonym: diethyl ethylmalonate,diethyl 2-ethylmalonate,propanedioic acid, ethyl-, diethyl ester,ethylmalonic acid diethyl ester,1,3-diethyl 2-ethylpropanedioate,unii-69g92oyr3m,propanedioic acid, 2-ethyl-, 1,3-diethyl ester,malonic acid, ethyl-, diethyl ester,diethyl ethylpropanedioate,diethyl 2-ethylpropane-1,3-dioate PubChem CID: 8610 IUPAC Name: diethyl 2-ethylpropanedioate SMILES: CCC(C(=O)OCC)C(=O)OCC

PubChem CID 8610
CAS 133-13-1
Molecular Weight (g/mol) 188.22
MDL Number MFCD00009167
SMILES CCC(C(=O)OCC)C(=O)OCC
Synonym diethyl ethylmalonate,diethyl 2-ethylmalonate,propanedioic acid, ethyl-, diethyl ester,ethylmalonic acid diethyl ester,1,3-diethyl 2-ethylpropanedioate,unii-69g92oyr3m,propanedioic acid, 2-ethyl-, 1,3-diethyl ester,malonic acid, ethyl-, diethyl ester,diethyl ethylpropanedioate,diethyl 2-ethylpropane-1,3-dioate
IUPAC Name diethyl 2-ethylpropanedioate
InChI Key VQAZCUCWHIIFGE-UHFFFAOYSA-N
Molecular Formula C9H16O4
12

Methyl 2-oxocyclohexanecarboxylate, 90%

CAS: 41302-34-5 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.2 MDL Number: MFCD00077699 InChI Key: JEENWEAPRWGXSG-UHFFFAOYSA-N Synonym: methyl 2-oxocyclohexanecarboxylate,2-methoxycarbonylcyclohexanone,2-carbomethoxycyclohexanone,cyclohexanecarboxylic acid, 2-oxo-, methyl ester,methyl cyclohexanone-2-carboxylate,2-oxo-cyclohexanecarboxylic acid methyl ester,2-hydroxy methyl cyclohexanone,2-oxocyclohexanecarboxylic acid, methyl ester,pubchem20380,acmc-1ao3u PubChem CID: 170489 IUPAC Name: methyl 2-oxocyclohexane-1-carboxylate SMILES: COC(=O)C1CCCCC1=O

PubChem CID 170489
CAS 41302-34-5
Molecular Weight (g/mol) 156.2
MDL Number MFCD00077699
SMILES COC(=O)C1CCCCC1=O
Synonym methyl 2-oxocyclohexanecarboxylate,2-methoxycarbonylcyclohexanone,2-carbomethoxycyclohexanone,cyclohexanecarboxylic acid, 2-oxo-, methyl ester,methyl cyclohexanone-2-carboxylate,2-oxo-cyclohexanecarboxylic acid methyl ester,2-hydroxy methyl cyclohexanone,2-oxocyclohexanecarboxylic acid, methyl ester,pubchem20380,acmc-1ao3u
IUPAC Name methyl 2-oxocyclohexane-1-carboxylate
InChI Key JEENWEAPRWGXSG-UHFFFAOYSA-N
Molecular Formula C8H12O3
13

Ethyl 2-oxocyclopentanecarboxylate, 95+%

CAS: 611-10-9 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.18 MDL Number: MFCD00001412 InChI Key: JHZPNBKZPAWCJD-UHFFFAOYSA-N PubChem CID: 69136 IUPAC Name: ethyl 2-oxocyclopentane-1-carboxylate SMILES: CCOC(=O)C1CCCC1=O

PubChem CID 69136
CAS 611-10-9
Molecular Weight (g/mol) 156.18
MDL Number MFCD00001412
SMILES CCOC(=O)C1CCCC1=O
IUPAC Name ethyl 2-oxocyclopentane-1-carboxylate
InChI Key JHZPNBKZPAWCJD-UHFFFAOYSA-N
Molecular Formula C8H12O3
14

Malonic acid, 99%

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

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