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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 Aldehydes (31)
Complex Ketones (23)
Alpha beta-unsaturated carbonyl compounds (7)
Dicarbonyl Compounds (4)
Acyloins (2)

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1 – 15 of 58 results
1

5-Bromoisatin, 90+%

CAS: 87-48-9 Molecular Formula: C8H4BrNO2 Molecular Weight (g/mol): 226.029 MDL Number: MFCD00149345 InChI Key: MBVCESWADCIXJN-UHFFFAOYSA-N Synonym: 5-bromoisatin,5-bromoindoline-2,3-dione,5-bromoindole-2,3-dione,isatin, 5-bromo,5-bromisatin,1h-indole-2,3-dione, 5-bromo,5-bromisatin czech,5-bromo-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-bromo,5-bromoisatin monohydrate PubChem CID: 6889 IUPAC Name: 5-bromo-1H-indole-2,3-dione SMILES: C1=CC2=C(C=C1Br)C(=O)C(=O)N2

PubChem CID 6889
CAS 87-48-9
Molecular Weight (g/mol) 226.029
MDL Number MFCD00149345
SMILES C1=CC2=C(C=C1Br)C(=O)C(=O)N2
Synonym 5-bromoisatin,5-bromoindoline-2,3-dione,5-bromoindole-2,3-dione,isatin, 5-bromo,5-bromisatin,1h-indole-2,3-dione, 5-bromo,5-bromisatin czech,5-bromo-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-bromo,5-bromoisatin monohydrate
IUPAC Name 5-bromo-1H-indole-2,3-dione
InChI Key MBVCESWADCIXJN-UHFFFAOYSA-N
Molecular Formula C8H4BrNO2
2

1,3-Dimethyl-1H-pyrazole-5-carbaldehyde, ≥90%, Thermo Scientific™

CAS: 25016-09-5 Molecular Formula: C6H8N2O Molecular Weight (g/mol): 124.143 MDL Number: MFCD02681907 InChI Key: JWYFGNVBKRJGTN-UHFFFAOYSA-N PubChem CID: 2776362 IUPAC Name: 2,5-dimethylpyrazole-3-carbaldehyde SMILES: CC1=NN(C(=C1)C=O)C

PubChem CID 2776362
CAS 25016-09-5
Molecular Weight (g/mol) 124.143
MDL Number MFCD02681907
SMILES CC1=NN(C(=C1)C=O)C
IUPAC Name 2,5-dimethylpyrazole-3-carbaldehyde
InChI Key JWYFGNVBKRJGTN-UHFFFAOYSA-N
Molecular Formula C6H8N2O
3

4-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde, 90%, Thermo Scientific™

CAS: 876316-27-7 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.186 MDL Number: MFCD09025865 InChI Key: AEMXYVCSLPLJOW-UHFFFAOYSA-N Synonym: 4-3-methyl-1,2,4-oxadiazol-5-yl benzaldehyde,3-methyl-5-4-formylphenyl-1,2,4-oxadiazole,benzaldehyde,4-3-methyl-1,2,4-oxadiazol-5-yl PubChem CID: 18525855 IUPAC Name: 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde SMILES: CC1=NOC(=N1)C2=CC=C(C=C2)C=O

PubChem CID 18525855
CAS 876316-27-7
Molecular Weight (g/mol) 188.186
MDL Number MFCD09025865
SMILES CC1=NOC(=N1)C2=CC=C(C=C2)C=O
Synonym 4-3-methyl-1,2,4-oxadiazol-5-yl benzaldehyde,3-methyl-5-4-formylphenyl-1,2,4-oxadiazole,benzaldehyde,4-3-methyl-1,2,4-oxadiazol-5-yl
IUPAC Name 4-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde
InChI Key AEMXYVCSLPLJOW-UHFFFAOYSA-N
Molecular Formula C10H8N2O2
4

2-Bromo-1-[5-(2-pyridinyl)-2-thienyl]-1-ethanone, 90%, Thermo Scientific™

CAS: 306935-06-8 Molecular Formula: C11H8BrNOS Molecular Weight (g/mol): 282.155 MDL Number: MFCD02677697 InChI Key: MJDNWZQQRFCXRU-UHFFFAOYSA-N Synonym: 2-bromo-1-5-2-pyridinyl-2-thienyl-1-ethanone,2-bromo-1-5-pyridin-2-yl thiophen-2-yl ethanone,2-bromo-1-5-pyridin-2-ylthien-2-yl ethan-1-one,2-bromo-1-5-pyridin-2-yl-thiophen-2-yl-ethanone,2-bromo-1-5-pyridin-2-yl-2-thienyl ethanone,2-bromo-1-5-pyridin-2-ylthiophen-2-yl ethanone,2-bromanyl-1-5-pyridin-2-ylthiophen-2-yl ethanone,ethanone, 2-bromo-1-5-2-pyridinyl-2-thienyl,2-bromo-1-5-pyridin-2-yl thiophen-2-yl ethan-1-one PubChem CID: 2776201 IUPAC Name: 2-bromo-1-(5-pyridin-2-ylthiophen-2-yl)ethanone SMILES: C1=CC=NC(=C1)C2=CC=C(S2)C(=O)CBr

PubChem CID 2776201
CAS 306935-06-8
Molecular Weight (g/mol) 282.155
MDL Number MFCD02677697
SMILES C1=CC=NC(=C1)C2=CC=C(S2)C(=O)CBr
Synonym 2-bromo-1-5-2-pyridinyl-2-thienyl-1-ethanone,2-bromo-1-5-pyridin-2-yl thiophen-2-yl ethanone,2-bromo-1-5-pyridin-2-ylthien-2-yl ethan-1-one,2-bromo-1-5-pyridin-2-yl-thiophen-2-yl-ethanone,2-bromo-1-5-pyridin-2-yl-2-thienyl ethanone,2-bromo-1-5-pyridin-2-ylthiophen-2-yl ethanone,2-bromanyl-1-5-pyridin-2-ylthiophen-2-yl ethanone,ethanone, 2-bromo-1-5-2-pyridinyl-2-thienyl,2-bromo-1-5-pyridin-2-yl thiophen-2-yl ethan-1-one
IUPAC Name 2-bromo-1-(5-pyridin-2-ylthiophen-2-yl)ethanone
InChI Key MJDNWZQQRFCXRU-UHFFFAOYSA-N
Molecular Formula C11H8BrNOS
5

2,6-Dichloroindophenol, sodium salt hydrate, 90+%

CAS: 1266615-56-8 Molecular Formula: C12H6Cl2NNaO2 Molecular Weight (g/mol): 290.07 MDL Number: MFCD00150014 InChI Key: CVSUAFOWIXUYQA-UHFFFAOYSA-M Synonym: 2,6-dichloroindophenol sodium salt dihydrate,2,6-dichloro-4-4-hydroxyphenyl azamethylene cyclohexa-2,5-dien-1-one, oxamet hane, oxamethane, sodium salt,c12h6cl2no2.na.2h2o,2,6-dichlorophenol-indophenol sodium salt dihydrate,sodium 4-3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene amino phenolate dihydrate,sodium 4-3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene amino benzenolate dihydrate PubChem CID: 23696612 IUPAC Name: sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate;dihydrate SMILES: [Na+].[O-]C1=CC=C(C=C1)N=C1C=C(Cl)C(=O)C(Cl)=C1

PubChem CID 23696612
CAS 1266615-56-8
Molecular Weight (g/mol) 290.07
MDL Number MFCD00150014
SMILES [Na+].[O-]C1=CC=C(C=C1)N=C1C=C(Cl)C(=O)C(Cl)=C1
Synonym 2,6-dichloroindophenol sodium salt dihydrate,2,6-dichloro-4-4-hydroxyphenyl azamethylene cyclohexa-2,5-dien-1-one, oxamet hane, oxamethane, sodium salt,c12h6cl2no2.na.2h2o,2,6-dichlorophenol-indophenol sodium salt dihydrate,sodium 4-3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene amino phenolate dihydrate,sodium 4-3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene amino benzenolate dihydrate
IUPAC Name sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate;dihydrate
InChI Key CVSUAFOWIXUYQA-UHFFFAOYSA-M
Molecular Formula C12H6Cl2NNaO2
6

trans-2,cis-6-Nonadienal, 90+% (major isomer), remainder mainly trans,trans-isomer

CAS: 557-48-2 Molecular Formula: C9H14O Molecular Weight (g/mol): 138.21 MDL Number: MFCD00007009 InChI Key: HZYHMHHBBBSGHB-ODYTWBPASA-N Synonym: trans-2,cis-6-nonadienal,violet leaf aldehyde,cucumber aldehyde,2e,6z-nona-2,6-dienal,2,6-nonadienal, 2e,6z,nona-2,6-dienal,e,z-2,6-nonadienal,2e,6z-nonadienal,2e,6z-nona-2,6-dien-1-al,2-trans-6-cis-nonadienal PubChem CID: 643731 ChEBI: CHEBI:7610 IUPAC Name: (2E,6Z)-nona-2,6-dienal SMILES: CCC=CCCC=CC=O

PubChem CID 643731
CAS 557-48-2
Molecular Weight (g/mol) 138.21
ChEBI CHEBI:7610
MDL Number MFCD00007009
SMILES CCC=CCCC=CC=O
Synonym trans-2,cis-6-nonadienal,violet leaf aldehyde,cucumber aldehyde,2e,6z-nona-2,6-dienal,2,6-nonadienal, 2e,6z,nona-2,6-dienal,e,z-2,6-nonadienal,2e,6z-nonadienal,2e,6z-nona-2,6-dien-1-al,2-trans-6-cis-nonadienal
IUPAC Name (2E,6Z)-nona-2,6-dienal
InChI Key HZYHMHHBBBSGHB-ODYTWBPASA-N
Molecular Formula C9H14O
7

tert-Butyl hydrogen malonate, 96%

CAS: 40052-13-9 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00191886 InChI Key: NGGGZUAEOKRHMA-UHFFFAOYSA-N Synonym: 3-tert-butoxy-3-oxopropanoic acid,malonic acid mono-tert-butyl ester,mono-tert-butyl malonate,2-tert-butoxycarbonyl acetic acid,tert-butyl hydrogen malonate,mono-t-butyl malonate,pubchem13754,malonicacidmono-tert-butylester,malonic acid mono t-butyl ester PubChem CID: 545853 IUPAC Name: 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid SMILES: CC(C)(C)OC(=O)CC(=O)O

PubChem CID 545853
CAS 40052-13-9
Molecular Weight (g/mol) 160.169
MDL Number MFCD00191886
SMILES CC(C)(C)OC(=O)CC(=O)O
Synonym 3-tert-butoxy-3-oxopropanoic acid,malonic acid mono-tert-butyl ester,mono-tert-butyl malonate,2-tert-butoxycarbonyl acetic acid,tert-butyl hydrogen malonate,mono-t-butyl malonate,pubchem13754,malonicacidmono-tert-butylester,malonic acid mono t-butyl ester
IUPAC Name 3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
InChI Key NGGGZUAEOKRHMA-UHFFFAOYSA-N
Molecular Formula C7H12O4
8

trans,trans-2,4-Dodecadienal, 90+%, remainder mainly trans, cis isomer

CAS: 21662-16-8 Molecular Formula: C12H20O Molecular Weight (g/mol): 180.29 MDL Number: MFCD00014678 InChI Key: QKTZBZWNADPFOL-BNFZFUHLSA-N Synonym: 2e,4e-dodeca-2,4-dienal,2,4-dodecadienal,e,e-2,4-dodecadienal,trans,trans-2,4-dodecadienal,2,4-dodecadien-1-al,2e,4e-2,4-dodecadienal,e,e-2,4-dodecadien-1-al,2,4-dodecadienal, e,e,unii-vo340rj9lu PubChem CID: 5367530 IUPAC Name: (2E,4E)-dodeca-2,4-dienal SMILES: CCCCCCC\C=C\C=C\C=O

PubChem CID 5367530
CAS 21662-16-8
Molecular Weight (g/mol) 180.29
MDL Number MFCD00014678
SMILES CCCCCCC\C=C\C=C\C=O
Synonym 2e,4e-dodeca-2,4-dienal,2,4-dodecadienal,e,e-2,4-dodecadienal,trans,trans-2,4-dodecadienal,2,4-dodecadien-1-al,2e,4e-2,4-dodecadienal,e,e-2,4-dodecadien-1-al,2,4-dodecadienal, e,e,unii-vo340rj9lu
IUPAC Name (2E,4E)-dodeca-2,4-dienal
InChI Key QKTZBZWNADPFOL-BNFZFUHLSA-N
Molecular Formula C12H20O
9

1-Bromo-2-butanone, 90%, stabilized, Thermo Scientific Chemicals

CAS: 816-40-0 Molecular Formula: C4H7BrO Molecular Weight (g/mol): 151 MDL Number: MFCD00000207 InChI Key: CCXQVBSQUQCEEO-UHFFFAOYSA-N Synonym: 1-bromo-2-butanone,2-butanone, 1-bromo,1-bromobutanone,bromomethyl ethyl ketone,bromobutanone,bromobutan-2-one,l-bromo-2-butanone,acmc-20aoxd,1-bromo-butan-2-one PubChem CID: 13156 IUPAC Name: 1-bromobutan-2-one SMILES: CCC(=O)CBr

PubChem CID 13156
CAS 816-40-0
Molecular Weight (g/mol) 151
MDL Number MFCD00000207
SMILES CCC(=O)CBr
Synonym 1-bromo-2-butanone,2-butanone, 1-bromo,1-bromobutanone,bromomethyl ethyl ketone,bromobutanone,bromobutan-2-one,l-bromo-2-butanone,acmc-20aoxd,1-bromo-butan-2-one
IUPAC Name 1-bromobutan-2-one
InChI Key CCXQVBSQUQCEEO-UHFFFAOYSA-N
Molecular Formula C4H7BrO
10

1,3,5-Triacetylbenzene 98.0+%, TCI America™

CAS: 779-90-8 Molecular Formula: C12H12O3 Molecular Weight (g/mol): 204.225 MDL Number: MFCD00008741 InChI Key: HSOAIPRTHLEQFI-UHFFFAOYSA-N Synonym: 1,3,5-triacetylbenzene,1,1',1-benzene-1,3,5-triyl triethanone,1,3,5,triacetylbenzene,benzene, 1,3,5-triacetyl,1-3,5-diacetylphenyl ethanone,1,5-triacetylbenzene,benzene,3,5-triacetyl,acmc-1bc4n,cambridge id 6741393,ethanone, 1,1',1-1,3,5-benzenetriyl tris PubChem CID: 69904 IUPAC Name: 1-(3,5-diacetylphenyl)ethanone SMILES: CC(=O)C1=CC(=CC(=C1)C(=O)C)C(=O)C

PubChem CID 69904
CAS 779-90-8
Molecular Weight (g/mol) 204.225
MDL Number MFCD00008741
SMILES CC(=O)C1=CC(=CC(=C1)C(=O)C)C(=O)C
Synonym 1,3,5-triacetylbenzene,1,1',1-benzene-1,3,5-triyl triethanone,1,3,5,triacetylbenzene,benzene, 1,3,5-triacetyl,1-3,5-diacetylphenyl ethanone,1,5-triacetylbenzene,benzene,3,5-triacetyl,acmc-1bc4n,cambridge id 6741393,ethanone, 1,1',1-1,3,5-benzenetriyl tris
IUPAC Name 1-(3,5-diacetylphenyl)ethanone
InChI Key HSOAIPRTHLEQFI-UHFFFAOYSA-N
Molecular Formula C12H12O3
11

Ethyl hydrogen malonate, 90+%

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

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
12

Ethyl benzoylacetate, 90%

CAS: 94-02-0 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.21 MDL Number: MFCD00009196 InChI Key: GKKZMYDNDDMXSE-UHFFFAOYSA-N Synonym: ethyl benzoylacetate,benzoylacetic acid ethyl ester,ethyl benzoyl acetate,acetic acid, benzoyl-, ethyl ester,ethyl beta-oxobenzenepropanoate,ethylbenzoylacetate,benzoylacetic acid, ethyl ester,ethyl 3-phenyl-3-oxopropanoate,benzenepropanoic acid, beta-oxo-, ethyl ester,ethyl 3-oxo-3-phenylpropionate PubChem CID: 7170 IUPAC Name: ethyl 3-oxo-3-phenylpropanoate SMILES: CCOC(=O)CC(=O)C1=CC=CC=C1

PubChem CID 7170
CAS 94-02-0
Molecular Weight (g/mol) 192.21
MDL Number MFCD00009196
SMILES CCOC(=O)CC(=O)C1=CC=CC=C1
Synonym ethyl benzoylacetate,benzoylacetic acid ethyl ester,ethyl benzoyl acetate,acetic acid, benzoyl-, ethyl ester,ethyl beta-oxobenzenepropanoate,ethylbenzoylacetate,benzoylacetic acid, ethyl ester,ethyl 3-phenyl-3-oxopropanoate,benzenepropanoic acid, beta-oxo-, ethyl ester,ethyl 3-oxo-3-phenylpropionate
IUPAC Name ethyl 3-oxo-3-phenylpropanoate
InChI Key GKKZMYDNDDMXSE-UHFFFAOYSA-N
Molecular Formula C11H12O3
13

2-Ethylacrolein, tech. 90%, stab. with 50ppm hydroquinone

CAS: 922-63-4 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.12 MDL Number: MFCD00010129 InChI Key: GMLDCZYTIPCVMO-UHFFFAOYSA-N Synonym: 2-ethylacrolein,2-methylenebutanal,2-ethylpropenal,butanal, 2-methylene,ethacrolein,2-ethylacrylaldehyde,2-methylenebutyraldehyde,ethylacrolein,alpha-ethylacrolein,alpha-ethylacrylaldehyde PubChem CID: 70203 IUPAC Name: 2-methylidenebutanal SMILES: CCC(=C)C=O

PubChem CID 70203
CAS 922-63-4
Molecular Weight (g/mol) 84.12
MDL Number MFCD00010129
SMILES CCC(=C)C=O
Synonym 2-ethylacrolein,2-methylenebutanal,2-ethylpropenal,butanal, 2-methylene,ethacrolein,2-ethylacrylaldehyde,2-methylenebutyraldehyde,ethylacrolein,alpha-ethylacrolein,alpha-ethylacrylaldehyde
IUPAC Name 2-methylidenebutanal
InChI Key GMLDCZYTIPCVMO-UHFFFAOYSA-N
Molecular Formula C5H8O
14

1-Hexen-3-one, 90+%, stab. with 0.5% 4-methoxyphenol

CAS: 1629-60-3 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.145 MDL Number: MFCD00051563 InChI Key: JTHNLKXLWOXOQK-UHFFFAOYSA-N Synonym: 1-hexen-3-one,propyl vinyl ketone,unii-qh9d98z86n,1-hexenone-3,n-propylacrolein,vinyl propyl ketone,acmc-1bt5f,1-hexene-3-one PubChem CID: 15395 IUPAC Name: hex-1-en-3-one SMILES: CCCC(=O)C=C

PubChem CID 15395
CAS 1629-60-3
Molecular Weight (g/mol) 98.145
MDL Number MFCD00051563
SMILES CCCC(=O)C=C
Synonym 1-hexen-3-one,propyl vinyl ketone,unii-qh9d98z86n,1-hexenone-3,n-propylacrolein,vinyl propyl ketone,acmc-1bt5f,1-hexene-3-one
IUPAC Name hex-1-en-3-one
InChI Key JTHNLKXLWOXOQK-UHFFFAOYSA-N
Molecular Formula C6H10O
15

2-Acetylthiazole 98.0+%, TCI America™

CAS: 24295-03-2 Molecular Formula: C5H5NOS Molecular Weight (g/mol): 127.161 MDL Number: MFCD00005324 InChI Key: MOMFXATYAINJML-UHFFFAOYSA-N Synonym: 2-acetylthiazole,1-1,3-thiazol-2-yl ethan-1-one,ethanone, 1-2-thiazolyl,1-1,3-thiazol-2-yl ethanone,2-acetyl thiazole,1-2-thiazolyl ethanone,ketone, methyl 2-thiazolyl,2-acetylthiazol,2-acetyl-1,3-thiazole,1-thiazol-2-yl-ethanone PubChem CID: 520108 IUPAC Name: 1-(1,3-thiazol-2-yl)ethanone SMILES: CC(=O)C1=NC=CS1

PubChem CID 520108
CAS 24295-03-2
Molecular Weight (g/mol) 127.161
MDL Number MFCD00005324
SMILES CC(=O)C1=NC=CS1
Synonym 2-acetylthiazole,1-1,3-thiazol-2-yl ethan-1-one,ethanone, 1-2-thiazolyl,1-1,3-thiazol-2-yl ethanone,2-acetyl thiazole,1-2-thiazolyl ethanone,ketone, methyl 2-thiazolyl,2-acetylthiazol,2-acetyl-1,3-thiazole,1-thiazol-2-yl-ethanone
IUPAC Name 1-(1,3-thiazol-2-yl)ethanone
InChI Key MOMFXATYAINJML-UHFFFAOYSA-N
Molecular Formula C5H5NOS