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Carbonyl compounds

Organic compounds that contain one or more carbonyl (a carbon atom with a double bond to an oxygen atom) functional groups. Includes compounds with functional groups that contain a carbonyl in their structure such as ketones, aldehydes, and others.
Complex Ketones (2,915)
Complex Aldehydes (1,638)
Alpha beta-unsaturated carbonyl compounds (330)
Dicarbonyl Compounds (292)
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Alpha-acyloxy carbonyl compounds (2)

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1 – 15 of 2,239 results
1

Ethyl acetoacetate, 99+%

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

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
2

Tris(dibenzylideneacetone)dipalladium(0), 97%

CAS: 51364-51-3 Molecular Formula: C51H42O3Pd2 Molecular Weight (g/mol): 915.73 MDL Number: MFCD00013310 InChI Key: CYPYTURSJDMMMP-UHFFFAOYSA-N Synonym: tris dibenzylideneacetone dipalladium 0,tris dibenzylideneacetone dipalladium,pd2 dba 3,tris dibezylideneacetone dipalladium,tris dibenzylideneacetone dipalladium o,tris dibenzylideneacetonyl bis-palladium,tris dba,tris 1e,4e-1,5-diphenylpenta-1,4-dien-3-one dipalladium PubChem CID: 9811564 IUPAC Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium SMILES: [Pd].[Pd].O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1

EDGE
PubChem CID 9811564
CAS 51364-51-3
Molecular Weight (g/mol) 915.73
MDL Number MFCD00013310
SMILES [Pd].[Pd].O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1
Synonym tris dibenzylideneacetone dipalladium 0,tris dibenzylideneacetone dipalladium,pd2 dba 3,tris dibezylideneacetone dipalladium,tris dibenzylideneacetone dipalladium o,tris dibenzylideneacetonyl bis-palladium,tris dba,tris 1e,4e-1,5-diphenylpenta-1,4-dien-3-one dipalladium
IUPAC Name (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
InChI Key CYPYTURSJDMMMP-UHFFFAOYSA-N
Molecular Formula C51H42O3Pd2
3

Malonic acid, 99%

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

EDGE
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
4

Thermo Scientific Chemicals D(-)-Fructose, 99%

CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N Synonym: d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 PubChem CID: 5984 ChEBI: CHEBI:48095 IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

EDGE
PubChem CID 5984
CAS 57-48-7
Molecular Weight (g/mol) 180.16
ChEBI CHEBI:48095
SMILES C(C(C(C(C(=O)CO)O)O)O)O
Synonym d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300
IUPAC Name (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key BJHIKXHVCXFQLS-UYFOZJQFSA-N
Molecular Formula C6H12O6
5

2,6-Dichloroindophenol sodium salt hydrate

CAS: 1266615-56-8 Molecular Formula: C12H6Cl2NNaO2 Molecular Weight (g/mol): 290.07 MDL Number: MFCD00150014 InChI Key: FHLDWQLHDYCXKI-UHFFFAOYSA-M Synonym: 2,6-dichloroindophenol sodium salt,2,6-dichlorophenolindophenol sodium salt,tillman's reagent,tillman's reagenz,dichlorphenol-indophenolnatrium,2,6-dichloroindophenol sodium,unii-kad7q8xo1y,sodium 2,6-dichloroindophenol,sodium 2,6-dichloroindophenolate,2,6-dichloroindophenol, sodium salt PubChem CID: 23697355 ChEBI: CHEBI:948 IUPAC Name: sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate SMILES: [Na+].[O-]C1=C(Cl)C=C(C=C1Cl)N=C1C=CC(=O)C=C1

EDGE
PubChem CID 23697355
CAS 1266615-56-8
Molecular Weight (g/mol) 290.07
ChEBI CHEBI:948
MDL Number MFCD00150014
SMILES [Na+].[O-]C1=C(Cl)C=C(C=C1Cl)N=C1C=CC(=O)C=C1
Synonym 2,6-dichloroindophenol sodium salt,2,6-dichlorophenolindophenol sodium salt,tillman's reagent,tillman's reagenz,dichlorphenol-indophenolnatrium,2,6-dichloroindophenol sodium,unii-kad7q8xo1y,sodium 2,6-dichloroindophenol,sodium 2,6-dichloroindophenolate,2,6-dichloroindophenol, sodium salt
IUPAC Name sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate
InChI Key FHLDWQLHDYCXKI-UHFFFAOYSA-M
Molecular Formula C12H6Cl2NNaO2
6

Benzil, 99+%

CAS: 134-81-6 Molecular Formula: C14H10O2 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00003080 InChI Key: WURBFLDFSFBTLW-UHFFFAOYSA-N Synonym: benzil,diphenylethanedione,dibenzoyl,diphenylglyoxal,bibenzoyl,ethanedione, diphenyl,1,2-diphenylethanedione,diphenylethane-1,2-dione,glyoxal, diphenyl,diphenyldiketon PubChem CID: 8651 ChEBI: CHEBI:51507 IUPAC Name: 1,2-diphenylethane-1,2-dione SMILES: O=C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1

EDGE
PubChem CID 8651
CAS 134-81-6
Molecular Weight (g/mol) 210.23
ChEBI CHEBI:51507
MDL Number MFCD00003080
SMILES O=C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
Synonym benzil,diphenylethanedione,dibenzoyl,diphenylglyoxal,bibenzoyl,ethanedione, diphenyl,1,2-diphenylethanedione,diphenylethane-1,2-dione,glyoxal, diphenyl,diphenyldiketon
IUPAC Name 1,2-diphenylethane-1,2-dione
InChI Key WURBFLDFSFBTLW-UHFFFAOYSA-N
Molecular Formula C14H10O2
7

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

EDGE
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
8

Acetophenone, 98%, pure

CAS: 98-86-2 MDL Number: MFCD00008724 InChI Key: KWOLFJPFCHCOCG-UHFFFAOYSA-N Synonym: acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol PubChem CID: 7410 ChEBI: CHEBI:27632 IUPAC Name: 1-phenylethanone SMILES: CC(=O)C1=CC=CC=C1

EDGE
PubChem CID 7410
CAS 98-86-2
ChEBI CHEBI:27632
MDL Number MFCD00008724
SMILES CC(=O)C1=CC=CC=C1
Synonym acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol
IUPAC Name 1-phenylethanone
InChI Key KWOLFJPFCHCOCG-UHFFFAOYSA-N
9

4-Hydroxybenzaldehyde, 99%

CAS: 123-08-0 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 InChI Key: RGHHSNMVTDWUBI-UHFFFAOYSA-N Synonym: p-hydroxybenzaldehyde,4-formylphenol,p-formylphenol,p-oxybenzaldehyde,benzaldehyde, 4-hydroxy,parahydroxybenzaldehyde,benzaldehyde, p-hydroxy,4-hydroxy-benzaldehyde,usaf m-6,4-hydroxy benzaldehyde PubChem CID: 126 ChEBI: CHEBI:17597 IUPAC Name: 4-hydroxybenzaldehyde SMILES: C1=CC(=CC=C1C=O)O

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PubChem CID 126
CAS 123-08-0
Molecular Weight (g/mol) 122.12
ChEBI CHEBI:17597
SMILES C1=CC(=CC=C1C=O)O
Synonym p-hydroxybenzaldehyde,4-formylphenol,p-formylphenol,p-oxybenzaldehyde,benzaldehyde, 4-hydroxy,parahydroxybenzaldehyde,benzaldehyde, p-hydroxy,4-hydroxy-benzaldehyde,usaf m-6,4-hydroxy benzaldehyde
IUPAC Name 4-hydroxybenzaldehyde
InChI Key RGHHSNMVTDWUBI-UHFFFAOYSA-N
Molecular Formula C7H6O2
10

4'-Fluoroacetophenone, 99%

CAS: 403-42-9 Molecular Formula: C8H7FO Molecular Weight (g/mol): 138.14 MDL Number: MFCD00000354 InChI Key: ZDPAWHACYDRYIW-UHFFFAOYSA-N Synonym: 4'-fluoroacetophenone,4-fluoroacetophenone,1-4-fluorophenyl ethanone,p-fluoroacetophenone,1-4-fluorophenyl ethan-1-one,ethanone, 1-4-fluorophenyl,acetophenone, 4'-fluoro,4 fluoroacetophenone,unii-tvq090602v,1-acetyl-4-fluorobenzene PubChem CID: 9828 IUPAC Name: 1-(4-fluorophenyl)ethanone SMILES: CC(=O)C1=CC=C(F)C=C1

EDGE
PubChem CID 9828
CAS 403-42-9
Molecular Weight (g/mol) 138.14
MDL Number MFCD00000354
SMILES CC(=O)C1=CC=C(F)C=C1
Synonym 4'-fluoroacetophenone,4-fluoroacetophenone,1-4-fluorophenyl ethanone,p-fluoroacetophenone,1-4-fluorophenyl ethan-1-one,ethanone, 1-4-fluorophenyl,acetophenone, 4'-fluoro,4 fluoroacetophenone,unii-tvq090602v,1-acetyl-4-fluorobenzene
IUPAC Name 1-(4-fluorophenyl)ethanone
InChI Key ZDPAWHACYDRYIW-UHFFFAOYSA-N
Molecular Formula C8H7FO
11

Thenoyltrifluoroacetone, 99%

CAS: 326-91-0 Molecular Formula: C8H5F3O2S Molecular Weight (g/mol): 222.18 MDL Number: MFCD00005445 InChI Key: TXBBUSUXYMIVOS-UHFFFAOYSA-N Synonym: 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone PubChem CID: 5601 IUPAC Name: 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione SMILES: FC(F)(F)C(=O)CC(=O)C1=CC=CS1

EDGE
PubChem CID 5601
CAS 326-91-0
Molecular Weight (g/mol) 222.18
MDL Number MFCD00005445
SMILES FC(F)(F)C(=O)CC(=O)C1=CC=CS1
Synonym 2-thenoyltrifluoroacetone,thenoyltrifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-2-thienyl,4,4,4-trifluoro-1-thiophen-2-yl butane-1,3-dione,4,4,4-trifluoro-1-2-thienyl-1,3-butanedione,4,4,4-trifluoro-1-2-thienyl butane-1,3-dione,perfluoroacetyl 2-thenoyl methane,alpha-thenoyltrifluoroacetone,1-thenoyl-3,3,3-trifluoroacetone,.alpha.-thenoyltrifluoroacetone
IUPAC Name 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
InChI Key TXBBUSUXYMIVOS-UHFFFAOYSA-N
Molecular Formula C8H5F3O2S
12

Vanillin, 99%, pure

CAS: 121-33-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00006942,MFCD08702848 InChI Key: MWOOGOJBHIARFG-UHFFFAOYSA-N Synonym: vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde PubChem CID: 1183 ChEBI: CHEBI:18346 IUPAC Name: 4-hydroxy-3-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1O

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PubChem CID 1183
CAS 121-33-5
Molecular Weight (g/mol) 152.15
ChEBI CHEBI:18346
MDL Number MFCD00006942,MFCD08702848
SMILES COC1=CC(C=O)=CC=C1O
Synonym vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde
IUPAC Name 4-hydroxy-3-methoxybenzaldehyde
InChI Key MWOOGOJBHIARFG-UHFFFAOYSA-N
Molecular Formula C8H8O3
13

tert-Butyl acetoacetate, 97%

CAS: 1694-31-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.2 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

EDGE
PubChem CID 15538
CAS 1694-31-1
Molecular Weight (g/mol) 158.2
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
14

Platinum(II) acetylacetonate, 98%

CAS: 15170-57-7 Molecular Formula: C10H14O4Pt Molecular Weight (g/mol): 393.30 MDL Number: MFCD00000028 InChI Key: KLFRPGNCEJNEKU-FDGPNNRMSA-L Synonym: platinum ii acetylacetonate,pt acac 2,platinum bis acetylacetonate,acetylacetone platinum ii salt,platinum 2,4-pentanedionate,2,4-pentanedione platinum ii derivative,bis acetylacetonato platinum,bis acetylacetonato platinum ii,2,4-pentanedione, platinum ii PubChem CID: 10960186 IUPAC Name: (Z)-4-hydroxypent-3-en-2-one;platinum SMILES: [Pt++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O

EDGE
PubChem CID 10960186
CAS 15170-57-7
Molecular Weight (g/mol) 393.30
MDL Number MFCD00000028
SMILES [Pt++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
Synonym platinum ii acetylacetonate,pt acac 2,platinum bis acetylacetonate,acetylacetone platinum ii salt,platinum 2,4-pentanedionate,2,4-pentanedione platinum ii derivative,bis acetylacetonato platinum,bis acetylacetonato platinum ii,2,4-pentanedione, platinum ii
IUPAC Name (Z)-4-hydroxypent-3-en-2-one;platinum
InChI Key KLFRPGNCEJNEKU-FDGPNNRMSA-L
Molecular Formula C10H14O4Pt
15

2-Chloro-5,5-dimethyl-1,3-cyclohexanedione, 98%

CAS: 7298-89-7 Molecular Formula: C8H11ClO2 Molecular Weight (g/mol): 174.624 MDL Number: MFCD00010502 InChI Key: VOBIHUAWDXUCPH-UHFFFAOYSA-N Synonym: chlorodimedone,2-chlorodimedone,monochlorodimedone,2-chloro-5,5-dimethyl-1,3-cyclohexanedione,1,1-dimethyl-4-chloro-3,5-cyclohexanedione,1,3-cyclohexanedione, 2-chloro-5,5-dimethyl,monochlorodimedon PubChem CID: 122278 IUPAC Name: 2-chloro-5,5-dimethylcyclohexane-1,3-dione SMILES: CC1(CC(=O)C(C(=O)C1)Cl)C

EDGE
PubChem CID 122278
CAS 7298-89-7
Molecular Weight (g/mol) 174.624
MDL Number MFCD00010502
SMILES CC1(CC(=O)C(C(=O)C1)Cl)C
Synonym chlorodimedone,2-chlorodimedone,monochlorodimedone,2-chloro-5,5-dimethyl-1,3-cyclohexanedione,1,1-dimethyl-4-chloro-3,5-cyclohexanedione,1,3-cyclohexanedione, 2-chloro-5,5-dimethyl,monochlorodimedon
IUPAC Name 2-chloro-5,5-dimethylcyclohexane-1,3-dione
InChI Key VOBIHUAWDXUCPH-UHFFFAOYSA-N
Molecular Formula C8H11ClO2