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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346 – 357 of 357 results

346

Ethyl Isobutyrylacetate 99%, Thermo Scientific™

CAS: 7152-15-0 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 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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PubChem CID	81583
CAS	7152-15-0
Molecular Weight (g/mol)	158.197
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

347

MP Biomedicals, Inc tert-Butyl Acetoacetate, MP Biomedicals

CAS: 1694-31-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 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
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

348

Ethyl 2-methylacetoacetate 98%, Thermo Scientific™

CAS: 609-14-3 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 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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PubChem CID	701
CAS	609-14-3
Molecular Weight (g/mol)	144.17
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

349

MP Biomedicals, Inc 2-Carbethoxycyclohexanone, MP Biomedicals

CAS: 1655-07-8 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.21 MDL Number: MFCD00001631 InChI Key: FGSGHBPKHFDJOP-UHFFFAOYNA-N Synonym: ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate PubChem CID: 95543 IUPAC Name: ethyl 2-oxocyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCCCC1=O

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Specifications

PubChem CID	95543
CAS	1655-07-8
Molecular Weight (g/mol)	170.21
MDL Number	MFCD00001631
SMILES	CCOC(=O)C1CCCCC1=O
Synonym	ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate
IUPAC Name	ethyl 2-oxocyclohexane-1-carboxylate
InChI Key	FGSGHBPKHFDJOP-UHFFFAOYNA-N
Molecular Formula	C9H14O3

350

Isopropylmalonic Acid 99.0+%, TCI America™

CAS: 601-79-6 Molecular Formula: C6H10O4 Molecular Weight (g/mol): 146.14 MDL Number: MFCD00021717 InChI Key: DQEUFPARIOFOAI-UHFFFAOYSA-N Synonym: isopropylmalonic acid,2-isopropylmalonic acid,malonic acid, isopropyl,2-isopropylpropanedioic acid,propanedioic acid, 1-methylethyl,.alpha.-carboxyisovaleric acid,2-propan-2-yl propanedioic acid,isopropylmalonsaure,isopropyl malonic acid,iso-propyl malonic acid PubChem CID: 69037 IUPAC Name: 2-(propan-2-yl)propanedioic acid SMILES: CC(C)C(C(O)=O)C(O)=O

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Specifications

PubChem CID	69037
CAS	601-79-6
Molecular Weight (g/mol)	146.14
MDL Number	MFCD00021717
SMILES	CC(C)C(C(O)=O)C(O)=O
Synonym	isopropylmalonic acid,2-isopropylmalonic acid,malonic acid, isopropyl,2-isopropylpropanedioic acid,propanedioic acid, 1-methylethyl,.alpha.-carboxyisovaleric acid,2-propan-2-yl propanedioic acid,isopropylmalonsaure,isopropyl malonic acid,iso-propyl malonic acid
IUPAC Name	2-(propan-2-yl)propanedioic acid
InChI Key	DQEUFPARIOFOAI-UHFFFAOYSA-N
Molecular Formula	C6H10O4

351

Disodium Malonate, TCI America™

CAS: 141-95-7 Molecular Formula: C3H2Na2O4 Molecular Weight (g/mol): 148.025 MDL Number: MFCD00002708 InChI Key: PRWXGRGLHYDWPS-UHFFFAOYSA-L Synonym: sodium malonate,disodium malonate,propanedioic acid, disodium salt,malonic acid disodium salt,disodium propanedioate,malonic acid, sodium salt,unii-9qwe64m39h,propanedioic acid, sodium salt 1:2,malonic acid, disodium salt,dicarboxymethane disodium salt PubChem CID: 8865 ChEBI: CHEBI:62983 IUPAC Name: disodium;propanedioate SMILES: C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]

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Specifications

PubChem CID	8865
CAS	141-95-7
Molecular Weight (g/mol)	148.025
ChEBI	CHEBI:62983
MDL Number	MFCD00002708
SMILES	C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]
Synonym	sodium malonate,disodium malonate,propanedioic acid, disodium salt,malonic acid disodium salt,disodium propanedioate,malonic acid, sodium salt,unii-9qwe64m39h,propanedioic acid, sodium salt 1:2,malonic acid, disodium salt,dicarboxymethane disodium salt
IUPAC Name	disodium;propanedioate
InChI Key	PRWXGRGLHYDWPS-UHFFFAOYSA-L
Molecular Formula	C3H2Na2O4

352

Ethyl 2-Amylacetoacetate 95.0+%, TCI America™

CAS: 24317-94-0 Molecular Formula: C11H20O3 Molecular Weight (g/mol): 200.278 MDL Number: MFCD00059380 InChI Key: XIGZBCUFFUBWDM-UHFFFAOYSA-N Synonym: 2-Acetylheptanoic Acid Ethyl Ester, 2-Amylacetoacetic Acid Ethyl Ester, Ethyl 2-Acetylheptanoate PubChem CID: 91162 IUPAC Name: ethyl 2-acetylheptanoate SMILES: CCCCCC(C(=O)C)C(=O)OCC

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Specifications

PubChem CID	91162
CAS	24317-94-0
Molecular Weight (g/mol)	200.278
MDL Number	MFCD00059380
SMILES	CCCCCC(C(=O)C)C(=O)OCC
Synonym	2-Acetylheptanoic Acid Ethyl Ester, 2-Amylacetoacetic Acid Ethyl Ester, Ethyl 2-Acetylheptanoate
IUPAC Name	ethyl 2-acetylheptanoate
InChI Key	XIGZBCUFFUBWDM-UHFFFAOYSA-N
Molecular Formula	C11H20O3

353

Bis(4-nitrobenzyl) Malonate 98.0+%, TCI America™

CAS: 67245-85-6 Molecular Formula: C17H14N2O8 Molecular Weight (g/mol): 374.305 MDL Number: MFCD00191671 InChI Key: RBVOYZBIDZCDBO-UHFFFAOYSA-N Synonym: Malonic Acid Bis(4-nitrobenzyl) Ester PubChem CID: 313754 IUPAC Name: bis[(4-nitrophenyl)methyl] propanedioate SMILES: C1=CC(=CC=C1COC(=O)CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

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Specifications

PubChem CID	313754
CAS	67245-85-6
Molecular Weight (g/mol)	374.305
MDL Number	MFCD00191671
SMILES	C1=CC(=CC=C1COC(=O)CC(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Synonym	Malonic Acid Bis(4-nitrobenzyl) Ester
IUPAC Name	bis[(4-nitrophenyl)methyl] propanedioate
InChI Key	RBVOYZBIDZCDBO-UHFFFAOYSA-N
Molecular Formula	C17H14N2O8

354

Monobenzyl Phenylmalonate 97.0+%, TCI America™

CAS: 25774-02-1 Molecular Formula: C16H14O4 Molecular Weight (g/mol): 270.284 MDL Number: MFCD00051723 InChI Key: QSBAHMROFICXDC-UHFFFAOYSA-N Synonym: Phenylmalonic Acid Monobenzyl Ester PubChem CID: 117278 IUPAC Name: 3-oxo-2-phenyl-3-phenylmethoxypropanoic acid SMILES: C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)C(=O)O

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Specifications

PubChem CID	117278
CAS	25774-02-1
Molecular Weight (g/mol)	270.284
MDL Number	MFCD00051723
SMILES	C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)C(=O)O
Synonym	Phenylmalonic Acid Monobenzyl Ester
IUPAC Name	3-oxo-2-phenyl-3-phenylmethoxypropanoic acid
InChI Key	QSBAHMROFICXDC-UHFFFAOYSA-N
Molecular Formula	C16H14O4

355

Monoethyl Malonate, TCI America™

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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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

356

Ethyl 2-Isopropylacetoacetate 94.0+%, TCI America™

CAS: 1522-46-9 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.22 MDL Number: MFCD00042884 InChI Key: DMIFFKCVURTPTG-UHFFFAOYNA-N Synonym: ethyl 2-isopropylacetoacetate,2-isopropylacetoacetic acid ethyl ester,ethyl 2-iso-propylacetoacetate,butanoic acid, 2-acetyl-3-methyl-, ethyl ester,ethyl alpha-isopropylacetoacetate,ethyl 2-acetyl-3-methylbutyrate,acetoacetic acid, 2-isopropyl-, ethyl ester,ethyl .alpha.-isopropylacetoacetate,ethyl isopropylaceto-acetate,acmc-1c35s PubChem CID: 95544 IUPAC Name: ethyl 2-acetyl-3-methylbutanoate SMILES: CCOC(=O)C(C(C)C)C(C)=O

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Specifications

PubChem CID	95544
CAS	1522-46-9
Molecular Weight (g/mol)	172.22
MDL Number	MFCD00042884
SMILES	CCOC(=O)C(C(C)C)C(C)=O
Synonym	ethyl 2-isopropylacetoacetate,2-isopropylacetoacetic acid ethyl ester,ethyl 2-iso-propylacetoacetate,butanoic acid, 2-acetyl-3-methyl-, ethyl ester,ethyl alpha-isopropylacetoacetate,ethyl 2-acetyl-3-methylbutyrate,acetoacetic acid, 2-isopropyl-, ethyl ester,ethyl .alpha.-isopropylacetoacetate,ethyl isopropylaceto-acetate,acmc-1c35s
IUPAC Name	ethyl 2-acetyl-3-methylbutanoate
InChI Key	DMIFFKCVURTPTG-UHFFFAOYNA-N
Molecular Formula	C9H16O3

357

Malonic Acid, TCI America™

CAS: 141-82-2 Molecular Formula: C3H4O4 Molecular Weight (g/mol): 104.061 MDL Number: MFCD00002707 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)	104.061
ChEBI	CHEBI:30794
MDL Number	MFCD00002707
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

Dicarbonyl Compounds

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