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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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

Ethyl 2-methylacetoacetate, 95%

CAS: 609-14-3 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009164 InChI Key: FNENWZWNOPCZGK-UHFFFAOYSA-N Synonym: ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester PubChem CID: 701 IUPAC Name: ethyl 2-methyl-3-oxobutanoate SMILES: CCOC(=O)C(C)C(=O)C

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Specifications

PubChem CID	701
CAS	609-14-3
Molecular Weight (g/mol)	144.17
MDL Number	MFCD00009164
SMILES	CCOC(=O)C(C)C(=O)C
Synonym	ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester
IUPAC Name	ethyl 2-methyl-3-oxobutanoate
InChI Key	FNENWZWNOPCZGK-UHFFFAOYSA-N
Molecular Formula	C7H12O3

Diethyl methylmalonate, 99%

CAS: 609-08-5 Molecular Formula: C8H14O4 Molecular Weight (g/mol): 174.196 MDL Number: MFCD00009162 InChI Key: UPQZOUHVTJNGFK-UHFFFAOYSA-N Synonym: diethyl methylmalonate,methylmalonic acid diethyl ester,diethyl 2-methylmalonate,propanedioic acid, methyl-, diethyl ester,1,3-diethyl 2-methylpropanedioate,diethylmethylmalonate,ethyl methylmalonate,diethyl methylpropanedioate,malonic acid, methyl-, diethyl ester,2-methylmalonic acid diethyl PubChem CID: 11857 IUPAC Name: diethyl 2-methylpropanedioate SMILES: CCOC(=O)C(C)C(=O)OCC

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Specifications

PubChem CID	11857
CAS	609-08-5
Molecular Weight (g/mol)	174.196
MDL Number	MFCD00009162
SMILES	CCOC(=O)C(C)C(=O)OCC
Synonym	diethyl methylmalonate,methylmalonic acid diethyl ester,diethyl 2-methylmalonate,propanedioic acid, methyl-, diethyl ester,1,3-diethyl 2-methylpropanedioate,diethylmethylmalonate,ethyl methylmalonate,diethyl methylpropanedioate,malonic acid, methyl-, diethyl ester,2-methylmalonic acid diethyl
IUPAC Name	diethyl 2-methylpropanedioate
InChI Key	UPQZOUHVTJNGFK-UHFFFAOYSA-N
Molecular Formula	C8H14O4

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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Specifications

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

tert-Butyl ethyl malonate, 95%

CAS: 32864-38-3 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00009193 InChI Key: OCOBFMZGRJOSOU-UHFFFAOYSA-N Synonym: tert-butyl ethyl malonate,t-butyl ethyl malonate,propanedioic acid, 1,1-dimethylethyl ethyl ester,1-tert-butyl 3-ethyl propanedioate,tert-butyl ethyl propanedioate,malonic acid tert-butyl ethyl ester,tert-butyl ethyl propane-1,3-dioate,zlchem 692,acmc-1cjju,1-tert-butyl ethyl malonate PubChem CID: 96345 IUPAC Name: 3-O-tert-butyl 1-O-ethyl propanedioate SMILES: CCOC(=O)CC(=O)OC(C)(C)C

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Specifications

PubChem CID	96345
CAS	32864-38-3
Molecular Weight (g/mol)	188.223
MDL Number	MFCD00009193
SMILES	CCOC(=O)CC(=O)OC(C)(C)C
Synonym	tert-butyl ethyl malonate,t-butyl ethyl malonate,propanedioic acid, 1,1-dimethylethyl ethyl ester,1-tert-butyl 3-ethyl propanedioate,tert-butyl ethyl propanedioate,malonic acid tert-butyl ethyl ester,tert-butyl ethyl propane-1,3-dioate,zlchem 692,acmc-1cjju,1-tert-butyl ethyl malonate
IUPAC Name	3-O-tert-butyl 1-O-ethyl propanedioate
InChI Key	OCOBFMZGRJOSOU-UHFFFAOYSA-N
Molecular Formula	C9H16O4

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

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Specifications

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

Dimethyl 1,4-cyclohexanedione-2,5-dicarboxylate, 98+%

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 IUPAC Name: dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate 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
IUPAC Name	dimethyl 2,5-dioxocyclohexane-1,4-dicarboxylate
InChI Key	MHKKFFHWMKEBDW-UHFFFAOYNA-N
Molecular Formula	C10H12O6

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

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

Benzyl acetoacetate, 97%

CAS: 5396-89-4 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00008785 InChI Key: WOFAGNLBCJWEOE-UHFFFAOYSA-N Synonym: benzyl acetoacetate,acetoacetic acid benzyl ester,benzyl acetylacetate,acetoacetic acid, benzyl ester,phenylmethyl 3-oxobutanoate,butanoic acid, 3-oxo-, phenylmethyl ester,benzyl beta-ketobutyrate,ac-benzyl,unii-f9s0xgv18x,f9s0xgv18x PubChem CID: 142266 IUPAC Name: benzyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OCC1=CC=CC=C1

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Specifications

PubChem CID	142266
CAS	5396-89-4
Molecular Weight (g/mol)	192.214
MDL Number	MFCD00008785
SMILES	CC(=O)CC(=O)OCC1=CC=CC=C1
Synonym	benzyl acetoacetate,acetoacetic acid benzyl ester,benzyl acetylacetate,acetoacetic acid, benzyl ester,phenylmethyl 3-oxobutanoate,butanoic acid, 3-oxo-, phenylmethyl ester,benzyl beta-ketobutyrate,ac-benzyl,unii-f9s0xgv18x,f9s0xgv18x
IUPAC Name	benzyl 3-oxobutanoate
InChI Key	WOFAGNLBCJWEOE-UHFFFAOYSA-N
Molecular Formula	C11H12O3

Diethyl phenylmalonate, 98%

CAS: 83-13-6 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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Specifications

PubChem CID	66514
CAS	83-13-6
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

Diethyl malonate, 99%

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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Specifications

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

Benzyl ethyl malonate, tech. 85%

CAS: 42998-51-6 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00009194 InChI Key: CGNOCUSLPSCMLL-UHFFFAOYSA-N Synonym: benzyl ethyl malonate,benzylethyl malonate,malonic acid benzyl ethyl ester,ethyl benzylmalonate,acmc-20alpf,1-benzyl 3-ethyl malonate #,ethyl phenylmethyl propanedioate,1-benzyl 3-ethyl propanedioate,malonic acid 1-benzyl 3-ethyl ester,ethyl phenylmethyl propane-1,3-dioate PubChem CID: 562228 SMILES: CCOC(=O)CC(=O)OCC1=CC=CC=C1

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Specifications

PubChem CID	562228
CAS	42998-51-6
Molecular Weight (g/mol)	222.24
MDL Number	MFCD00009194
SMILES	CCOC(=O)CC(=O)OCC1=CC=CC=C1
Synonym	benzyl ethyl malonate,benzylethyl malonate,malonic acid benzyl ethyl ester,ethyl benzylmalonate,acmc-20alpf,1-benzyl 3-ethyl malonate #,ethyl phenylmethyl propanedioate,1-benzyl 3-ethyl propanedioate,malonic acid 1-benzyl 3-ethyl ester,ethyl phenylmethyl propane-1,3-dioate
InChI Key	CGNOCUSLPSCMLL-UHFFFAOYSA-N
Molecular Formula	C12H14O4

Methyl malonamate, 98%

CAS: 51513-29-2 Molecular Formula: C4H7NO3 Molecular Weight (g/mol): 117.10 MDL Number: MFCD00674533 InChI Key: LSNSJCKGQREPDW-UHFFFAOYSA-N Synonym: methyl malonamate,methyl malonate monoamide,methyl 2-carbamoylacetate,propanoic acid, 3-amino-3-oxo-, methyl ester,acmc-20akfl,methyl carbamoylacetate,methyl-malonate monoamide,malonamic acid methyl ester,malonamidic acid methyl ester,methyl 3-amino-3-oxo-propanoate PubChem CID: 3595299 IUPAC Name: methyl 3-amino-3-oxopropanoate SMILES: COC(=O)CC(N)=O

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Specifications

PubChem CID	3595299
CAS	51513-29-2
Molecular Weight (g/mol)	117.10
MDL Number	MFCD00674533
SMILES	COC(=O)CC(N)=O
Synonym	methyl malonamate,methyl malonate monoamide,methyl 2-carbamoylacetate,propanoic acid, 3-amino-3-oxo-, methyl ester,acmc-20akfl,methyl carbamoylacetate,methyl-malonate monoamide,malonamic acid methyl ester,malonamidic acid methyl ester,methyl 3-amino-3-oxo-propanoate
IUPAC Name	methyl 3-amino-3-oxopropanoate
InChI Key	LSNSJCKGQREPDW-UHFFFAOYSA-N
Molecular Formula	C4H7NO3

Ethyl propionylacetate, 98%

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

Pricing and Availability
Specifications

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

Dicarbonyl Compounds

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