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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Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate, 99+%

CAS: 6289-46-9 Molecular Formula: C10H12O6 Molecular Weight (g/mol): 228.20 MDL Number: MFCD00001607 InChI Key: MHKKFFHWMKEBDW-UHFFFAOYNA-N Synonym: 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 PubChem CID: 94866 SMILES: COC(=O)C1CC(=O)C(CC1=O)C(=O)OC

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Specifications

PubChem CID	94866
CAS	6289-46-9
Molecular Weight (g/mol)	228.20
MDL Number	MFCD00001607
SMILES	COC(=O)C1CC(=O)C(CC1=O)C(=O)OC
Synonym	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
InChI Key	MHKKFFHWMKEBDW-UHFFFAOYNA-N
Molecular Formula	C10H12O6

Diethyl benzylmalonate, 97%

CAS: 607-81-8 Molecular Formula: C14H18O4 Molecular Weight (g/mol): 250.294 MDL Number: MFCD00009166 InChI Key: ICZLTZWATFXDLP-UHFFFAOYSA-N Synonym: diethyl benzylmalonate,diethyl 2-benzylmalonate,benzylmalonic acid diethyl ester,propanedioic acid, phenylmethyl-, diethyl ester,unii-40y0x0xn6p,malonic acid, benzyl-, diethyl ester,malonic acid, 2-benzyl-, diethyl ester,diethyl benzyl malonate,1,3-diethyl 2-benzylpropanedioate,diethyl benzylpropanedioate PubChem CID: 69090 IUPAC Name: diethyl 2-benzylpropanedioate SMILES: CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC

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Specifications

PubChem CID	69090
CAS	607-81-8
Molecular Weight (g/mol)	250.294
MDL Number	MFCD00009166
SMILES	CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC
Synonym	diethyl benzylmalonate,diethyl 2-benzylmalonate,benzylmalonic acid diethyl ester,propanedioic acid, phenylmethyl-, diethyl ester,unii-40y0x0xn6p,malonic acid, benzyl-, diethyl ester,malonic acid, 2-benzyl-, diethyl ester,diethyl benzyl malonate,1,3-diethyl 2-benzylpropanedioate,diethyl benzylpropanedioate
IUPAC Name	diethyl 2-benzylpropanedioate
InChI Key	ICZLTZWATFXDLP-UHFFFAOYSA-N
Molecular Formula	C14H18O4

Malonyl dichloride, 94%

CAS: 1663-67-8 Molecular Formula: C3H2Cl2O2 Molecular Weight (g/mol): 140.947 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

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Specifications

PubChem CID	74269
CAS	1663-67-8
Molecular Weight (g/mol)	140.947
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

Ethyl isobutyrylacetate, 95%

CAS: 7152-15-0 Molecular Formula: C₈H₁₄O₃ Molecular Weight (g/mol): 158.2 MDL Number: MFCD00009198 InChI Key: XCLDSQRVMMXWMS-UHFFFAOYSA-N Synonym: ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate PubChem CID: 81583 IUPAC Name: ethyl 4-methyl-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(C)C

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Specifications

PubChem CID	81583
CAS	7152-15-0
Molecular Weight (g/mol)	158.2
MDL Number	MFCD00009198
SMILES	CCOC(=O)CC(=O)C(C)C
Synonym	ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate
IUPAC Name	ethyl 4-methyl-3-oxopentanoate
InChI Key	XCLDSQRVMMXWMS-UHFFFAOYSA-N
Molecular Formula	C₈H₁₄O₃

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

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Specifications

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

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

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Specifications

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

Ethyl potassium malonate, 98%

CAS: 6148-64-7 Molecular Formula: C5H7KO4 Molecular Weight (g/mol): 170.205 MDL Number: MFCD00035603 InChI Key: WVUCPRGADMCTBN-UHFFFAOYSA-M Synonym: 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 PubChem CID: 3446434 IUPAC Name: potassium;3-ethoxy-3-oxopropanoate SMILES: CCOC(=O)CC(=O)[O-].[K+]

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Specifications

PubChem CID	3446434
CAS	6148-64-7
Molecular Weight (g/mol)	170.205
MDL Number	MFCD00035603
SMILES	CCOC(=O)CC(=O)[O-].[K+]
Synonym	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
IUPAC Name	potassium;3-ethoxy-3-oxopropanoate
InChI Key	WVUCPRGADMCTBN-UHFFFAOYSA-M
Molecular Formula	C5H7KO4

Dimethyl cyclohexylmalonate, 95%

CAS: 49769-76-8 Molecular Formula: C11H18O4 Molecular Weight (g/mol): 214.261 MDL Number: MFCD05666206 InChI Key: CULITIDIVVTWIV-UHFFFAOYSA-N Synonym: dimethyl 2-cyclohexylmalonate,dimethyl cyclohexylmalonate,acmc-1asaj,dimethyl cyclohexylpropanedioate,cyclohexylmalonic acid dimethyl ester,cyclohexyl-malonic acid dimethyl ester,1,3-dimethyl 2-cyclohexylpropanedioate,2-cyclohexylmalonic acid dimethyl ester,dimethyl 2-cyclohexyl malonate,propanedioic acid, cyclohexyl-, dimethyl ester PubChem CID: 2793740 IUPAC Name: dimethyl 2-cyclohexylpropanedioate SMILES: COC(=O)C(C1CCCCC1)C(=O)OC

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Specifications

PubChem CID	2793740
CAS	49769-76-8
Molecular Weight (g/mol)	214.261
MDL Number	MFCD05666206
SMILES	COC(=O)C(C1CCCCC1)C(=O)OC
Synonym	dimethyl 2-cyclohexylmalonate,dimethyl cyclohexylmalonate,acmc-1asaj,dimethyl cyclohexylpropanedioate,cyclohexylmalonic acid dimethyl ester,cyclohexyl-malonic acid dimethyl ester,1,3-dimethyl 2-cyclohexylpropanedioate,2-cyclohexylmalonic acid dimethyl ester,dimethyl 2-cyclohexyl malonate,propanedioic acid, cyclohexyl-, dimethyl ester
IUPAC Name	dimethyl 2-cyclohexylpropanedioate
InChI Key	CULITIDIVVTWIV-UHFFFAOYSA-N
Molecular Formula	C11H18O4

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

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Specifications

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

Ethyl isobutyrylacetate, 94%

CAS: 7152-15-0 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00009198 InChI Key: XCLDSQRVMMXWMS-UHFFFAOYSA-N Synonym: ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate PubChem CID: 81583 IUPAC Name: ethyl 4-methyl-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(C)C

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Specifications

PubChem CID	81583
CAS	7152-15-0
Molecular Weight (g/mol)	158.197
MDL Number	MFCD00009198
SMILES	CCOC(=O)CC(=O)C(C)C
Synonym	ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate
IUPAC Name	ethyl 4-methyl-3-oxopentanoate
InChI Key	XCLDSQRVMMXWMS-UHFFFAOYSA-N
Molecular Formula	C8H14O3

Methyl hydrogen malonate, 96%

CAS: 16695-14-0 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.088 MDL Number: MFCD00667796 InChI Key: PBVZQAXFSQKDKK-UHFFFAOYSA-N Synonym: methyl hydrogen malonate,malonic acid monomethyl ester,3-methoxy-3-oxo-propanoic acid,1-methyl malonate,hydrogen methyl malonate PubChem CID: 538366 IUPAC Name: 3-methoxy-3-oxopropanoic acid SMILES: COC(=O)CC(=O)O

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Specifications

PubChem CID	538366
CAS	16695-14-0
Molecular Weight (g/mol)	118.088
MDL Number	MFCD00667796
SMILES	COC(=O)CC(=O)O
Synonym	methyl hydrogen malonate,malonic acid monomethyl ester,3-methoxy-3-oxo-propanoic acid,1-methyl malonate,hydrogen methyl malonate
IUPAC Name	3-methoxy-3-oxopropanoic acid
InChI Key	PBVZQAXFSQKDKK-UHFFFAOYSA-N
Molecular Formula	C4H6O4

Diethyl acetone-1,3-dicarboxylate, 96%

CAS: 105-50-0 Molecular Formula: C9H14O5 Molecular Weight (g/mol): 202.21 MDL Number: MFCD00009200 InChI Key: ZSANYRMTSBBUCA-UHFFFAOYSA-N Synonym: 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 PubChem CID: 66045 IUPAC Name: diethyl 3-oxopentanedioate SMILES: CCOC(=O)CC(=O)CC(=O)OCC

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Specifications

PubChem CID	66045
CAS	105-50-0
Molecular Weight (g/mol)	202.21
MDL Number	MFCD00009200
SMILES	CCOC(=O)CC(=O)CC(=O)OCC
Synonym	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
IUPAC Name	diethyl 3-oxopentanedioate
InChI Key	ZSANYRMTSBBUCA-UHFFFAOYSA-N
Molecular Formula	C9H14O5

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

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Specifications

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

Diethyl (3-chloropropyl)malonate, 98%

CAS: 18719-43-2 Molecular Formula: C10H17ClO4 Molecular Weight (g/mol): 236.692 MDL Number: MFCD00009169 InChI Key: WUOPYKKJFZHTRA-UHFFFAOYSA-N Synonym: diethyl 3-chloropropyl malonate,diethyl 2-3-chloropropyl malonate,malonic acid, 3-chloropropyl-, diethyl ester,2-3-chloropropyl malonic acid diethyl ester,acmc-20al9u,diethyl ?-chloropropyl malonate,chloropropylmalonic acid diethyl ester,diethyl 2-3-chloropropyl propanedioate PubChem CID: 140413 IUPAC Name: diethyl 2-(3-chloropropyl)propanedioate SMILES: CCOC(=O)C(CCCCl)C(=O)OCC

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Specifications

PubChem CID	140413
CAS	18719-43-2
Molecular Weight (g/mol)	236.692
MDL Number	MFCD00009169
SMILES	CCOC(=O)C(CCCCl)C(=O)OCC
Synonym	diethyl 3-chloropropyl malonate,diethyl 2-3-chloropropyl malonate,malonic acid, 3-chloropropyl-, diethyl ester,2-3-chloropropyl malonic acid diethyl ester,acmc-20al9u,diethyl ?-chloropropyl malonate,chloropropylmalonic acid diethyl ester,diethyl 2-3-chloropropyl propanedioate
IUPAC Name	diethyl 2-(3-chloropropyl)propanedioate
InChI Key	WUOPYKKJFZHTRA-UHFFFAOYSA-N
Molecular Formula	C10H17ClO4

Ethyl butyrylacetate, 98%

CAS: 3249-68-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00009401 InChI Key: KQWWVLVLVYYYDT-UHFFFAOYSA-N Synonym: ethyl butyrylacetate,ethyl butyroacetate,hexanoic acid, 3-oxo-, ethyl ester,ethyl beta-ketohexanoate,ethyl alpha-butyrylacetate,3-ketohexanoic acid ethyl ester,ethyl-3-oxohexanoate,unii-8q1ahg710e,ethyl .alpha.-butyrylacetate,fema no. 3683 PubChem CID: 238498 ChEBI: CHEBI:18119 IUPAC Name: ethyl 3-oxohexanoate SMILES: CCCC(=O)CC(=O)OCC

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Specifications

PubChem CID	238498
CAS	3249-68-1
Molecular Weight (g/mol)	158.20
ChEBI	CHEBI:18119
MDL Number	MFCD00009401
SMILES	CCCC(=O)CC(=O)OCC
Synonym	ethyl butyrylacetate,ethyl butyroacetate,hexanoic acid, 3-oxo-, ethyl ester,ethyl beta-ketohexanoate,ethyl alpha-butyrylacetate,3-ketohexanoic acid ethyl ester,ethyl-3-oxohexanoate,unii-8q1ahg710e,ethyl .alpha.-butyrylacetate,fema no. 3683
IUPAC Name	ethyl 3-oxohexanoate
InChI Key	KQWWVLVLVYYYDT-UHFFFAOYSA-N
Molecular Formula	C8H14O3

Dicarbonyl Compounds

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