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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91 – 105 of 358 results

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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

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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

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2-(4-Pyridyl)malondialdehyde, 95%

CAS: 51076-46-1 Molecular Formula: C₈H₇NO₂ Molecular Weight (g/mol): 149.15 MDL Number: MFCD00216535 InChI Key: RYYVVCNGQOENKM-UHFFFAOYSA-N Synonym: 2-4-pyridyl malondialdehyde,2-pyridin-4-yl malonaldehyde,2-pyridin-4-yl propanedial,propanedial, 4-pyridinyl,2-4-pyridinyl malonaldehyde,2-pyridin-4-yl malondialdehyde,zlchem 842,2-4-pyridyl propanedial,ksc925a8h,2-4-pyridyl propane-1,3-dial PubChem CID: 2737246 IUPAC Name: 2-pyridin-4-ylpropanedial SMILES: C1=CN=CC=C1C(C=O)C=O

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PubChem CID	2737246
CAS	51076-46-1
Molecular Weight (g/mol)	149.15
MDL Number	MFCD00216535
SMILES	C1=CN=CC=C1C(C=O)C=O
Synonym	2-4-pyridyl malondialdehyde,2-pyridin-4-yl malonaldehyde,2-pyridin-4-yl propanedial,propanedial, 4-pyridinyl,2-4-pyridinyl malonaldehyde,2-pyridin-4-yl malondialdehyde,zlchem 842,2-4-pyridyl propanedial,ksc925a8h,2-4-pyridyl propane-1,3-dial
IUPAC Name	2-pyridin-4-ylpropanedial
InChI Key	RYYVVCNGQOENKM-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO₂

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tert.-Butyl methyl malonate, 95%

CAS: 42726-73-8 Molecular Formula: C₈H₁₄O₄ Molecular Weight (g/mol): 174.2 MDL Number: MFCD00042856 InChI Key: XPSYZCWYRWHVCC-UHFFFAOYSA-N Synonym: tert-butyl methyl malonate,t-butyl methyl malonate,1-tert-butyl 3-methyl propanedioate,acmc-20ajkv,tert-butyl methylmalote,pubchem20476,methyl tert-butyl malonate,ksc493c8h,tert-butyl methyl malonaoate PubChem CID: 2733872 IUPAC Name: 3-O-tert-butyl 1-O-methyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OC

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PubChem CID	2733872
CAS	42726-73-8
Molecular Weight (g/mol)	174.2
MDL Number	MFCD00042856
SMILES	CC(C)(C)OC(=O)CC(=O)OC
Synonym	tert-butyl methyl malonate,t-butyl methyl malonate,1-tert-butyl 3-methyl propanedioate,acmc-20ajkv,tert-butyl methylmalote,pubchem20476,methyl tert-butyl malonate,ksc493c8h,tert-butyl methyl malonaoate
IUPAC Name	3-O-tert-butyl 1-O-methyl propanedioate
InChI Key	XPSYZCWYRWHVCC-UHFFFAOYSA-N
Molecular Formula	C₈H₁₄O₄

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Benzyl methyl malonate, 95%

CAS: 52267-39-7 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.21 MDL Number: MFCD00008461 InChI Key: IAUZDBFOEWAQFE-UHFFFAOYSA-N Synonym: benzyl methyl malonate,1-benzyl 3-methyl propanedioate,malonic acid 1-benzyl 3-methyl ester,propanedioic acid, methyl phenylmethyl ester,benzylmethyl malonate,methyl benzyl malonate,acmc-1b0zd,benzyl methyl propanedioate,ksc493e1f PubChem CID: 572135 IUPAC Name: 3-O-benzyl 1-O-methyl propanedioate SMILES: COC(=O)CC(=O)OCC1=CC=CC=C1

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PubChem CID	572135
CAS	52267-39-7
Molecular Weight (g/mol)	208.21
MDL Number	MFCD00008461
SMILES	COC(=O)CC(=O)OCC1=CC=CC=C1
Synonym	benzyl methyl malonate,1-benzyl 3-methyl propanedioate,malonic acid 1-benzyl 3-methyl ester,propanedioic acid, methyl phenylmethyl ester,benzylmethyl malonate,methyl benzyl malonate,acmc-1b0zd,benzyl methyl propanedioate,ksc493e1f
IUPAC Name	3-O-benzyl 1-O-methyl propanedioate
InChI Key	IAUZDBFOEWAQFE-UHFFFAOYSA-N
Molecular Formula	C11H12O4

Allyl Acetoacetate 95.0+%, TCI America™

CAS: 1118-84-9 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.154 MDL Number: MFCD00009811 InChI Key: AXLMPTNTPOWPLT-UHFFFAOYSA-N Synonym: allyl acetoacetate,allyl 3-oxobutanoate,allyl acetylacetate,acetoacetic acid, allyl ester,butanoic acid, 3-oxo-, 2-propenyl ester,prop-2-en-1-yl 3-oxobutanoate,acetoacetic acid allyl ester,2-propenyl 3-oxobutanoate,ac-allyl,unii-8hx066j62p PubChem CID: 70701 IUPAC Name: prop-2-enyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OCC=C

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PubChem CID	70701
CAS	1118-84-9
Molecular Weight (g/mol)	142.154
MDL Number	MFCD00009811
SMILES	CC(=O)CC(=O)OCC=C
Synonym	allyl acetoacetate,allyl 3-oxobutanoate,allyl acetylacetate,acetoacetic acid, allyl ester,butanoic acid, 3-oxo-, 2-propenyl ester,prop-2-en-1-yl 3-oxobutanoate,acetoacetic acid allyl ester,2-propenyl 3-oxobutanoate,ac-allyl,unii-8hx066j62p
IUPAC Name	prop-2-enyl 3-oxobutanoate
InChI Key	AXLMPTNTPOWPLT-UHFFFAOYSA-N
Molecular Formula	C7H10O3

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

Dimethyl Malonate 98.0+%, TCI America™

CAS: 108-59-8 Molecular Formula: C5H8O4 Molecular Weight (g/mol): 132.115 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

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PubChem CID	7943
CAS	108-59-8
Molecular Weight (g/mol)	132.115
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

Diethyl Malonate, TCI America™

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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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

Ethyl 2-Hexylacetoacetate 95.0+%, TCI America™

CAS: 29214-60-6 Molecular Formula: C12H22O3 Molecular Weight (g/mol): 214.305 MDL Number: MFCD00026889 InChI Key: BRGRZPQESQKATK-UHFFFAOYSA-N Synonym: 2-Acetyl-n-octanoic Acid Ethyl Ester, Ethyl 2-Acetyl-n-octanoate, Hexylacetoacetic Acid Ethyl Ester PubChem CID: 121790 IUPAC Name: ethyl 2-acetyloctanoate SMILES: CCCCCCC(C(=O)C)C(=O)OCC

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PubChem CID	121790
CAS	29214-60-6
Molecular Weight (g/mol)	214.305
MDL Number	MFCD00026889
SMILES	CCCCCCC(C(=O)C)C(=O)OCC
Synonym	2-Acetyl-n-octanoic Acid Ethyl Ester, Ethyl 2-Acetyl-n-octanoate, Hexylacetoacetic Acid Ethyl Ester
IUPAC Name	ethyl 2-acetyloctanoate
InChI Key	BRGRZPQESQKATK-UHFFFAOYSA-N
Molecular Formula	C12H22O3

100

Di-tert-butyl Malonate 98.0+%, TCI America™

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

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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

101

3-Thiophenemalonic Acid 98.0+%, TCI America™

CAS: 21080-92-2 Molecular Formula: C7H4O4S Molecular Weight (g/mol): 184.17 MDL Number: MFCD00005469 InChI Key: GCOOGCQWQFRJEK-UHFFFAOYSA-L Synonym: 3-thiophenemalonic acid,3-thienylmalonic acid,2-thiophen-3-yl malonic acid,propanedioic acid, 3-thienyl,3-thiophene malonic acid,3-thienylpropanedioic acid,3-thienyl malonic acid,thiophene-3-malonic acid,2-3-thienyl malonic acid,2-3-thienyl propanedioic acid PubChem CID: 88782 IUPAC Name: 2-(thiophen-3-yl)propanedioate SMILES: [O-]C(=O)C(C([O-])=O)C1=CSC=C1

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PubChem CID	88782
CAS	21080-92-2
Molecular Weight (g/mol)	184.17
MDL Number	MFCD00005469
SMILES	[O-]C(=O)C(C([O-])=O)C1=CSC=C1
Synonym	3-thiophenemalonic acid,3-thienylmalonic acid,2-thiophen-3-yl malonic acid,propanedioic acid, 3-thienyl,3-thiophene malonic acid,3-thienylpropanedioic acid,3-thienyl malonic acid,thiophene-3-malonic acid,2-3-thienyl malonic acid,2-3-thienyl propanedioic acid
IUPAC Name	2-(thiophen-3-yl)propanedioate
InChI Key	GCOOGCQWQFRJEK-UHFFFAOYSA-L
Molecular Formula	C7H4O4S

102

N-Acetoacetylmorpholine 98.0+%, TCI America™

CAS: 16695-54-8 Molecular Formula: C8H13NO3 Molecular Weight (g/mol): 171.20 MDL Number: MFCD00059774 InChI Key: RKPILPRSNWEZJV-UHFFFAOYSA-N PubChem CID: 85550 IUPAC Name: 1-(morpholin-4-yl)butane-1,3-dione SMILES: CC(=O)CC(=O)N1CCOCC1

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PubChem CID	85550
CAS	16695-54-8
Molecular Weight (g/mol)	171.20
MDL Number	MFCD00059774
SMILES	CC(=O)CC(=O)N1CCOCC1
IUPAC Name	1-(morpholin-4-yl)butane-1,3-dione
InChI Key	RKPILPRSNWEZJV-UHFFFAOYSA-N
Molecular Formula	C8H13NO3

103

3-Pentyl Acetoacetate 97.0+%, TCI America™

CAS: 13562-81-7 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 MDL Number: MFCD00059415 InChI Key: PFTIWTQFHWICDR-UHFFFAOYSA-N Synonym: Acetoacetic Acid 3-Pentyl Ester, 3-Amyl Acetoacetate, Acetoacetic Acid 3-Amyl Ester PubChem CID: 14677137 IUPAC Name: pentan-3-yl 3-oxobutanoate SMILES: CCC(CC)OC(=O)CC(=O)C

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PubChem CID	14677137
CAS	13562-81-7
Molecular Weight (g/mol)	172.224
MDL Number	MFCD00059415
SMILES	CCC(CC)OC(=O)CC(=O)C
Synonym	Acetoacetic Acid 3-Pentyl Ester, 3-Amyl Acetoacetate, Acetoacetic Acid 3-Amyl Ester
IUPAC Name	pentan-3-yl 3-oxobutanoate
InChI Key	PFTIWTQFHWICDR-UHFFFAOYSA-N
Molecular Formula	C9H16O3

104

Mono-4-nitrobenzyl Malonate 98.0+%, TCI America™

CAS: 77359-11-6 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.183 MDL Number: MFCD00191556 InChI Key: RIGFMUNSTCPGNP-UHFFFAOYSA-N Synonym: Malonic Acid Mono-4-nitrobenzyl Ester, 4-Nitrobenzyl Hydrogen Malonate PubChem CID: 592642 SMILES: C1=CC(=CC=C1COC(=O)CC(=O)O)[N+](=O)[O-]

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PubChem CID	592642
CAS	77359-11-6
Molecular Weight (g/mol)	239.183
MDL Number	MFCD00191556
SMILES	C1=CC(=CC=C1COC(=O)CC(=O)O)[N+](=O)[O-]
Synonym	Malonic Acid Mono-4-nitrobenzyl Ester, 4-Nitrobenzyl Hydrogen Malonate
InChI Key	RIGFMUNSTCPGNP-UHFFFAOYSA-N
Molecular Formula	C10H9NO6

105

Dipropyl Malonate 98.0+%, TCI America™

CAS: 1117-19-7 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.223 MDL Number: MFCD00059406 InChI Key: LWIWFCDNJNZEKB-UHFFFAOYSA-N Synonym: Malonic Acid Dipropyl Ester PubChem CID: 517959 IUPAC Name: dipropyl propanedioate SMILES: CCCOC(=O)CC(=O)OCCC

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PubChem CID	517959
CAS	1117-19-7
Molecular Weight (g/mol)	188.223
MDL Number	MFCD00059406
SMILES	CCCOC(=O)CC(=O)OCCC
Synonym	Malonic Acid Dipropyl Ester
IUPAC Name	dipropyl propanedioate
InChI Key	LWIWFCDNJNZEKB-UHFFFAOYSA-N
Molecular Formula	C9H16O4

Dicarbonyl Compounds

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