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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Diethyl tert-butylmalonate, 96%

CAS: 759-24-0 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.28 MDL Number: MFCD00009152 InChI Key: RJNICNBRGVKNSR-UHFFFAOYSA-N Synonym: 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 PubChem CID: 69798 IUPAC Name: diethyl 2-tert-butylpropanedioate SMILES: CCOC(=O)C(C(=O)OCC)C(C)(C)C

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PubChem CID	69798
CAS	759-24-0
Molecular Weight (g/mol)	216.28
MDL Number	MFCD00009152
SMILES	CCOC(=O)C(C(=O)OCC)C(C)(C)C
Synonym	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
IUPAC Name	diethyl 2-tert-butylpropanedioate
InChI Key	RJNICNBRGVKNSR-UHFFFAOYSA-N
Molecular Formula	C11H20O4

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

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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

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Ethyl 2-ethylacetoacetate, 95%

CAS: 607-97-6 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00039898 InChI Key: OKANYBNORCUPKZ-UHFFFAOYSA-N Synonym: ethyl 2-ethylacetoacetate,ethyl 2-acetylbutyrate,butanoic acid, 2-ethyl-3-oxo-, ethyl ester,2-ethylacetoacetic acid ethyl ester,ethyl 2-ethyl-3-ketobutyrate,ethyl alpha-ethylacetoacetate,ethyl-2-ethylacetoacetate,2-ethyl-3-oxo-butyric acid ethyl ester,ethyl .alpha.-acetylbutyrate,ethyl 2-ethyl-3-oxo-butanoate PubChem CID: 79065 IUPAC Name: ethyl 2-ethyl-3-oxobutanoate SMILES: CCC(C(=O)C)C(=O)OCC

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PubChem CID	79065
CAS	607-97-6
Molecular Weight (g/mol)	158.197
MDL Number	MFCD00039898
SMILES	CCC(C(=O)C)C(=O)OCC
Synonym	ethyl 2-ethylacetoacetate,ethyl 2-acetylbutyrate,butanoic acid, 2-ethyl-3-oxo-, ethyl ester,2-ethylacetoacetic acid ethyl ester,ethyl 2-ethyl-3-ketobutyrate,ethyl alpha-ethylacetoacetate,ethyl-2-ethylacetoacetate,2-ethyl-3-oxo-butyric acid ethyl ester,ethyl .alpha.-acetylbutyrate,ethyl 2-ethyl-3-oxo-butanoate
IUPAC Name	ethyl 2-ethyl-3-oxobutanoate
InChI Key	OKANYBNORCUPKZ-UHFFFAOYSA-N
Molecular Formula	C8H14O3

Ethyl 2-Formylpropionate 97.0+%, TCI America™

CAS: 27772-62-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00044012 InChI Key: VVCYNVCCODBCOE-UHFFFAOYSA-N Synonym: 2-Formylpropionic Acid Ethyl Ester PubChem CID: 10898741 IUPAC Name: ethyl 2-methyl-3-oxopropanoate SMILES: CCOC(=O)C(C)C=O

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PubChem CID	10898741
CAS	27772-62-9
Molecular Weight (g/mol)	130.143
MDL Number	MFCD00044012
SMILES	CCOC(=O)C(C)C=O
Synonym	2-Formylpropionic Acid Ethyl Ester
IUPAC Name	ethyl 2-methyl-3-oxopropanoate
InChI Key	VVCYNVCCODBCOE-UHFFFAOYSA-N
Molecular Formula	C6H10O3

tert-Butyl Acetoacetate 95.0+%, TCI America™

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

Ethyl Acetoacetate 98.0+%, TCI America™

CAS: 141-97-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 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)	130.143
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

Diethyl (2-Cyanoethyl)malonate 98.0+%, TCI America™

CAS: 17216-62-5 Molecular Formula: C10H15NO4 Molecular Weight (g/mol): 213.233 MDL Number: MFCD00001966 InChI Key: YJJLOESDBPRZIP-UHFFFAOYSA-N Synonym: diethyl 2-2-cyanoethyl malonate,diethyl 2-cyanoethyl malonate,1,3-diethyl 2-2-cyanoethyl propanedioate,diethyl2-2-cyanoethyl malonate,diethyl 2-2-cyanoethyl-malonate,propanedioic acid, 2-cyanoethyl-, diethyl ester,2-cyanoethylmalonic acid diethylester,diethyl 2-2-cyanoethyl propane-1,3-dioate,pubchem14162 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
Synonym	diethyl 2-2-cyanoethyl malonate,diethyl 2-cyanoethyl malonate,1,3-diethyl 2-2-cyanoethyl propanedioate,diethyl2-2-cyanoethyl malonate,diethyl 2-2-cyanoethyl-malonate,propanedioic acid, 2-cyanoethyl-, diethyl ester,2-cyanoethylmalonic acid diethylester,diethyl 2-2-cyanoethyl propane-1,3-dioate,pubchem14162
IUPAC Name	diethyl 2-(2-cyanoethyl)propanedioate
InChI Key	YJJLOESDBPRZIP-UHFFFAOYSA-N
Molecular Formula	C10H15NO4

Methyl 2-Oxocyclopentanecarboxylate 97.0+%, TCI America™

CAS: 10472-24-9 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.154 MDL Number: MFCD00001411 InChI Key: PZBBESSUKAHBHD-UHFFFAOYSA-N Synonym: methyl 2-oxocyclopentanecarboxylate,methyl 2-cyclopentanonecarboxylate,2-carbmethoxycyclopentanone,methyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, methyl ester,2-methoxy carbonyl cyclopentanone,2-methoxycarbonylcyclopentanone,2-oxocyclopentanecarboxylic acid methyl ester,cyclopentanone-2-carboxylic acid methyl ester,mehyl-2-oxocyclopentane PubChem CID: 66328 IUPAC Name: methyl 2-oxocyclopentane-1-carboxylate SMILES: COC(=O)C1CCCC1=O

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PubChem CID	66328
CAS	10472-24-9
Molecular Weight (g/mol)	142.154
MDL Number	MFCD00001411
SMILES	COC(=O)C1CCCC1=O
Synonym	methyl 2-oxocyclopentanecarboxylate,methyl 2-cyclopentanonecarboxylate,2-carbmethoxycyclopentanone,methyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, methyl ester,2-methoxy carbonyl cyclopentanone,2-methoxycarbonylcyclopentanone,2-oxocyclopentanecarboxylic acid methyl ester,cyclopentanone-2-carboxylic acid methyl ester,mehyl-2-oxocyclopentane
IUPAC Name	methyl 2-oxocyclopentane-1-carboxylate
InChI Key	PZBBESSUKAHBHD-UHFFFAOYSA-N
Molecular Formula	C7H10O3

N,N-Diethylacetoacetamide 98.0+%, TCI America™

CAS: 2235-46-3 Molecular Formula: C8H15NO2 Molecular Weight (g/mol): 157.213 MDL Number: MFCD00026728 InChI Key: NTMXFHGYWJIAAE-UHFFFAOYSA-N Synonym: n,n-diethylacetoacetamide,n,n-diethyl-3-oxobutyramide,diethylacetoacetamide,butanamide, n,n-diethyl-3-oxo,acetoacetamide, n,n-diethyl,1-diethylcarbamoyl-2-propanone,n,n-diethylacetylacetamide,acetoacetdiethylamide,diethylamid kyseliny acetoctove,diethylamid kyseliny acetoctove czech PubChem CID: 16699 IUPAC Name: N,N-diethyl-3-oxobutanamide SMILES: CCN(CC)C(=O)CC(=O)C

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PubChem CID	16699
CAS	2235-46-3
Molecular Weight (g/mol)	157.213
MDL Number	MFCD00026728
SMILES	CCN(CC)C(=O)CC(=O)C
Synonym	n,n-diethylacetoacetamide,n,n-diethyl-3-oxobutyramide,diethylacetoacetamide,butanamide, n,n-diethyl-3-oxo,acetoacetamide, n,n-diethyl,1-diethylcarbamoyl-2-propanone,n,n-diethylacetylacetamide,acetoacetdiethylamide,diethylamid kyseliny acetoctove,diethylamid kyseliny acetoctove czech
IUPAC Name	N,N-diethyl-3-oxobutanamide
InChI Key	NTMXFHGYWJIAAE-UHFFFAOYSA-N
Molecular Formula	C8H15NO2

100

Ethyl 2-Oxocyclopentanecarboxylate 97.0+%, TCI America™

CAS: 611-10-9 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.181 MDL Number: MFCD00001412 InChI Key: JHZPNBKZPAWCJD-UHFFFAOYSA-N Synonym: ethyl 2-oxocyclopentanecarboxylate,2-carbethoxycyclopentanone,ethyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, ethyl ester,cyclopentanone-2-carboxylic acid ethyl ester,ethyl2-oxocyclopentanecarboxylate,2-ethoxycarbonyl cyclopentanone,ethyl 2-cyclopentanonecarboxylate,.alpha.-carboethoxy cyclopentanone,ethyl 2-cyclopentanone-1-carboxylate PubChem CID: 69136 IUPAC Name: ethyl 2-oxocyclopentane-1-carboxylate SMILES: CCOC(=O)C1CCCC1=O

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PubChem CID	69136
CAS	611-10-9
Molecular Weight (g/mol)	156.181
MDL Number	MFCD00001412
SMILES	CCOC(=O)C1CCCC1=O
Synonym	ethyl 2-oxocyclopentanecarboxylate,2-carbethoxycyclopentanone,ethyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, ethyl ester,cyclopentanone-2-carboxylic acid ethyl ester,ethyl2-oxocyclopentanecarboxylate,2-ethoxycarbonyl cyclopentanone,ethyl 2-cyclopentanonecarboxylate,.alpha.-carboethoxy cyclopentanone,ethyl 2-cyclopentanone-1-carboxylate
IUPAC Name	ethyl 2-oxocyclopentane-1-carboxylate
InChI Key	JHZPNBKZPAWCJD-UHFFFAOYSA-N
Molecular Formula	C8H12O3

101

Diethyl Phenylmalonate 97.0+%, TCI America™

CAS: 83-13-6 Molecular Formula: C13H16O4 Molecular Weight (g/mol): 236.267 MDL Number: MFCD00009144 InChI Key: FGYDHYCFHBSNPE-UHFFFAOYSA-N Synonym: diethyl phenylmalonate,diethyl 2-phenylmalonate,phenylmalonic acid diethyl ester,propanedioic acid, phenyl-, diethyl ester,diethylphenylmalonate,1,3-diethyl 2-phenylpropanedioate,malonic acid, phenyl-, diethyl ester,propanedioic acid, 2-phenyl-, 1,3-diethyl ester,diethyl 2-phenylpropane-1,3-dioate,diethyl-phenylmalonate PubChem CID: 66514 IUPAC Name: diethyl 2-phenylpropanedioate SMILES: CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC

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PubChem CID	66514
CAS	83-13-6
Molecular Weight (g/mol)	236.267
MDL Number	MFCD00009144
SMILES	CCOC(=O)C(C1=CC=CC=C1)C(=O)OCC
Synonym	diethyl phenylmalonate,diethyl 2-phenylmalonate,phenylmalonic acid diethyl ester,propanedioic acid, phenyl-, diethyl ester,diethylphenylmalonate,1,3-diethyl 2-phenylpropanedioate,malonic acid, phenyl-, diethyl ester,propanedioic acid, 2-phenyl-, 1,3-diethyl ester,diethyl 2-phenylpropane-1,3-dioate,diethyl-phenylmalonate
IUPAC Name	diethyl 2-phenylpropanedioate
InChI Key	FGYDHYCFHBSNPE-UHFFFAOYSA-N
Molecular Formula	C13H16O4

102

Phenylmalonic Acid 95.0+%, TCI America™

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103

Dimethyl Benzylmalonate 95.0+%, TCI America™

CAS: 49769-78-0 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD01445471 InChI Key: ZMYJSOIMFGAQRQ-UHFFFAOYSA-N Synonym: Benzylmalonic Acid Dimethyl Ester PubChem CID: 10900856 IUPAC Name: 1,3-dimethyl 2-benzylpropanedioate SMILES: COC(=O)C(CC1=CC=CC=C1)C(=O)OC

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PubChem CID	10900856
CAS	49769-78-0
Molecular Weight (g/mol)	222.24
MDL Number	MFCD01445471
SMILES	COC(=O)C(CC1=CC=CC=C1)C(=O)OC
Synonym	Benzylmalonic Acid Dimethyl Ester
IUPAC Name	1,3-dimethyl 2-benzylpropanedioate
InChI Key	ZMYJSOIMFGAQRQ-UHFFFAOYSA-N
Molecular Formula	C12H14O4

104

Isoamyl Acetoacetate 97.0+%, TCI America™

CAS: 2308-18-1 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 MDL Number: MFCD00059355 InChI Key: XHRGPLDMNNGHCX-UHFFFAOYSA-N Synonym: Acetoacetic Acid Isoamyl Ester, Isopentyl Acetoacetate PubChem CID: 61296 IUPAC Name: 3-methylbutyl 3-oxobutanoate SMILES: CC(C)CCOC(=O)CC(=O)C

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PubChem CID	61296
CAS	2308-18-1
Molecular Weight (g/mol)	172.224
MDL Number	MFCD00059355
SMILES	CC(C)CCOC(=O)CC(=O)C
Synonym	Acetoacetic Acid Isoamyl Ester, Isopentyl Acetoacetate
IUPAC Name	3-methylbutyl 3-oxobutanoate
InChI Key	XHRGPLDMNNGHCX-UHFFFAOYSA-N
Molecular Formula	C9H16O3

105

sec-Butyl Acetoacetate 98.0+%, TCI America™

CAS: 13562-76-0 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00059392 InChI Key: QSTNBMLCULGCQE-UHFFFAOYSA-N Synonym: Acetoacetic Acid sec-Butyl Ester PubChem CID: 139498 IUPAC Name: butan-2-yl 3-oxobutanoate SMILES: CCC(C)OC(=O)CC(=O)C

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PubChem CID	139498
CAS	13562-76-0
Molecular Weight (g/mol)	158.197
MDL Number	MFCD00059392
SMILES	CCC(C)OC(=O)CC(=O)C
Synonym	Acetoacetic Acid sec-Butyl Ester
IUPAC Name	butan-2-yl 3-oxobutanoate
InChI Key	QSTNBMLCULGCQE-UHFFFAOYSA-N
Molecular Formula	C8H14O3

Dicarbonyl Compounds

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