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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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1 – 15 of 18 results
1

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
2

Ethyl hydrogen malonate, 96%

CAS: 1071-46-1 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 MDL Number: MFCD00020490 InChI Key: HGINADPHJQTSKN-UHFFFAOYSA-N Synonym: 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 PubChem CID: 70615 ChEBI: CHEBI:86907 IUPAC Name: 3-ethoxy-3-oxopropanoic acid SMILES: CCOC(=O)CC(=O)O

PubChem CID 70615
CAS 1071-46-1
Molecular Weight (g/mol) 132.115
ChEBI CHEBI:86907
MDL Number MFCD00020490
SMILES CCOC(=O)CC(=O)O
Synonym 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
IUPAC Name 3-ethoxy-3-oxopropanoic acid
InChI Key HGINADPHJQTSKN-UHFFFAOYSA-N
Molecular Formula C5H8O4
3

Ethyl hydrogen malonate, 90+%

CAS: 1071-46-1 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 MDL Number: MFCD00020490 InChI Key: HGINADPHJQTSKN-UHFFFAOYSA-N Synonym: 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 PubChem CID: 70615 ChEBI: CHEBI:86907 IUPAC Name: 3-ethoxy-3-oxopropanoic acid SMILES: CCOC(=O)CC(=O)O

PubChem CID 70615
CAS 1071-46-1
Molecular Weight (g/mol) 132.115
ChEBI CHEBI:86907
MDL Number MFCD00020490
SMILES CCOC(=O)CC(=O)O
Synonym 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
IUPAC Name 3-ethoxy-3-oxopropanoic acid
InChI Key HGINADPHJQTSKN-UHFFFAOYSA-N
Molecular Formula C5H8O4
4

Mono-Ethyl malonate, 95%

CAS: 1071-46-1 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.11 MDL Number: MFCD00020490 InChI Key: HGINADPHJQTSKN-UHFFFAOYSA-N Synonym: 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 PubChem CID: 70615 ChEBI: CHEBI:86907 IUPAC Name: 3-ethoxy-3-oxopropanoic acid SMILES: CCOC(=O)CC(=O)O

PubChem CID 70615
CAS 1071-46-1
Molecular Weight (g/mol) 132.11
ChEBI CHEBI:86907
MDL Number MFCD00020490
SMILES CCOC(=O)CC(=O)O
Synonym 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
IUPAC Name 3-ethoxy-3-oxopropanoic acid
InChI Key HGINADPHJQTSKN-UHFFFAOYSA-N
Molecular Formula C5H8O4
5

Ethyl malonyl chloride, 95%

CAS: 36239-09-5 Molecular Formula: C5H7ClO3 Molecular Weight (g/mol): 150.56 MDL Number: MFCD00000736 InChI Key: KWFADUNOPOSMIJ-UHFFFAOYSA-N Synonym: ethyl 3-chloro-3-oxopropionate,ethyl chloroformylacetate,ethyl chloroformyl acetate,propanoic acid, 3-chloro-3-oxo-, ethyl ester,ethyl3-chloro-3-oxopropanoate,ethyl malonylchloride,carbethoxyacetyl chloride,2-ethoxycarbonylacetyl chloride,ethyl 2-chlorocarbonyl acetate,chloroformyl acetic acid ethyl ester PubChem CID: 118931 IUPAC Name: ethyl 3-chloro-3-oxopropanoate SMILES: CCOC(=O)CC(Cl)=O

PubChem CID 118931
CAS 36239-09-5
Molecular Weight (g/mol) 150.56
MDL Number MFCD00000736
SMILES CCOC(=O)CC(Cl)=O
Synonym ethyl 3-chloro-3-oxopropionate,ethyl chloroformylacetate,ethyl chloroformyl acetate,propanoic acid, 3-chloro-3-oxo-, ethyl ester,ethyl3-chloro-3-oxopropanoate,ethyl malonylchloride,carbethoxyacetyl chloride,2-ethoxycarbonylacetyl chloride,ethyl 2-chlorocarbonyl acetate,chloroformyl acetic acid ethyl ester
IUPAC Name ethyl 3-chloro-3-oxopropanoate
InChI Key KWFADUNOPOSMIJ-UHFFFAOYSA-N
Molecular Formula C5H7ClO3
6

Ethyl propionylacetate, 95%

CAS: 4949-44-4 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009317 InChI Key: UDRCONFHWYGWFI-UHFFFAOYSA-N Synonym: 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 PubChem CID: 78656 IUPAC Name: ethyl 3-oxopentanoate SMILES: CCC(=O)CC(=O)OCC

PubChem CID 78656
CAS 4949-44-4
Molecular Weight (g/mol) 144.17
MDL Number MFCD00009317
SMILES CCC(=O)CC(=O)OCC
Synonym 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
IUPAC Name ethyl 3-oxopentanoate
InChI Key UDRCONFHWYGWFI-UHFFFAOYSA-N
Molecular Formula C7H12O3
7

tert-Butyl hydrogen malonate, 96%

CAS: 40052-13-9 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00191886 InChI Key: NGGGZUAEOKRHMA-UHFFFAOYSA-N Synonym: 3-tert-butoxy-3-oxopropanoic acid,malonic acid mono-tert-butyl ester,mono-tert-butyl malonate,2-tert-butoxycarbonyl acetic acid,tert-butyl hydrogen malonate,mono-t-butyl malonate,pubchem13754,malonicacidmono-tert-butylester,malonic acid mono t-butyl ester PubChem CID: 545853 IUPAC Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid SMILES: CC(C)(C)OC(=O)CC(=O)O

PubChem CID 545853
CAS 40052-13-9
Molecular Weight (g/mol) 160.169
MDL Number MFCD00191886
SMILES CC(C)(C)OC(=O)CC(=O)O
Synonym 3-tert-butoxy-3-oxopropanoic acid,malonic acid mono-tert-butyl ester,mono-tert-butyl malonate,2-tert-butoxycarbonyl acetic acid,tert-butyl hydrogen malonate,mono-t-butyl malonate,pubchem13754,malonicacidmono-tert-butylester,malonic acid mono t-butyl ester
IUPAC Name 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
InChI Key NGGGZUAEOKRHMA-UHFFFAOYSA-N
Molecular Formula C7H12O4
8

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
9

Benzyl tert-butyl malonate, 95%

CAS: 72594-86-6 Molecular Formula: C14H18O4 Molecular Weight (g/mol): 250.294 MDL Number: MFCD01075175 InChI Key: XKXXXODAXXAFNP-UHFFFAOYSA-N Synonym: benzyl tert-butyl malonate,benzyltert-butylmalonate,tert-butyl benzyl malonate,1-benzyl 3-tert-butyl propanedioate,tert-butyl 2-benzyloxycarbonyl acetate,propanedioic acid, 1,1-dimethylethyl phenylmethyl ester,tert-butyl phenylmethyl propane-1,3-dioate,pubchem3938,t-butyl benzyl malonate,ksc493q0n PubChem CID: 2736712 IUPAC Name: 1-O-benzyl 3-O-tert-butyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OCC1=CC=CC=C1

PubChem CID 2736712
CAS 72594-86-6
Molecular Weight (g/mol) 250.294
MDL Number MFCD01075175
SMILES CC(C)(C)OC(=O)CC(=O)OCC1=CC=CC=C1
Synonym benzyl tert-butyl malonate,benzyltert-butylmalonate,tert-butyl benzyl malonate,1-benzyl 3-tert-butyl propanedioate,tert-butyl 2-benzyloxycarbonyl acetate,propanedioic acid, 1,1-dimethylethyl phenylmethyl ester,tert-butyl phenylmethyl propane-1,3-dioate,pubchem3938,t-butyl benzyl malonate,ksc493q0n
IUPAC Name 1-O-benzyl 3-O-tert-butyl propanedioate
InChI Key XKXXXODAXXAFNP-UHFFFAOYSA-N
Molecular Formula C14H18O4
10

Diethyl n-propylmalonate, 99%

CAS: 2163-48-6 Molecular Formula: C10H18O4 Molecular Weight (g/mol): 202.25 MDL Number: MFCD00009168 InChI Key: GRRSDGHTSMJICM-UHFFFAOYSA-N Synonym: diethyl propylmalonate,diethyl 2-propylmalonate,1,3-diethyl 2-propylpropanedioate,diethyl n-propylmalonate,diethylpropylmalonate,propylmalonic acid diethyl ester,propanedioic acid, propyl-, diethyl ester,diethyl-n-propylmalonate,malonic acid, propyl-, diethyl ester,diethyl propyl malonate PubChem CID: 16552 IUPAC Name: diethyl 2-propylpropanedioate SMILES: CCCC(C(=O)OCC)C(=O)OCC

PubChem CID 16552
CAS 2163-48-6
Molecular Weight (g/mol) 202.25
MDL Number MFCD00009168
SMILES CCCC(C(=O)OCC)C(=O)OCC
Synonym diethyl propylmalonate,diethyl 2-propylmalonate,1,3-diethyl 2-propylpropanedioate,diethyl n-propylmalonate,diethylpropylmalonate,propylmalonic acid diethyl ester,propanedioic acid, propyl-, diethyl ester,diethyl-n-propylmalonate,malonic acid, propyl-, diethyl ester,diethyl propyl malonate
IUPAC Name diethyl 2-propylpropanedioate
InChI Key GRRSDGHTSMJICM-UHFFFAOYSA-N
Molecular Formula C10H18O4
11

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

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
12

Di-tert-butyl malonate, 98+%, stab. with potassium carbonate

CAS: 541-16-2 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.277 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
Molecular Weight (g/mol) 216.277
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
Molecular Formula C11H20O4
13

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
14

Methyl malonyl chloride, 97%

CAS: 37517-81-0 Molecular Formula: C4H5ClO3 Molecular Weight (g/mol): 136.531 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) 136.531
MDL Number MFCD00013657
SMILES COC(=O)CC(=O)Cl
IUPAC Name methyl 3-chloro-3-oxopropanoate
InChI Key UTBCRHAMJFMIIR-UHFFFAOYSA-N
Molecular Formula C4H5ClO3
15

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