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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.
Acyloins (6)
Alpha beta-unsaturated carbonyl compounds (56)
Dicarbonyl Compounds (59)
Complex Aldehydes (275)
Complex Ketones (332)

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1 – 15 of 319 results
1

2,4-Dihydroxybenzaldehyde, 98%

CAS: 95-01-2 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00011686 InChI Key: IUNJCFABHJZSKB-UHFFFAOYSA-N Synonym: beta-resorcylaldehyde,4-hydroxysalicylaldehyde,4-formylresorcinol,beta-resorcaldehyde,benzaldehyde, 2,4-dihydroxy,beta-resorcinaldehyde,beta-resorcylic aldehyde,2,4-dihydroxybenzenecarbonal,salicylaldehyde, 4-hydroxy,4-hydroxysalicyladehyde PubChem CID: 7213 ChEBI: CHEBI:50198 IUPAC Name: 2,4-dihydroxybenzaldehyde SMILES: OC1=CC=C(C=O)C(O)=C1

EDGE
PubChem CID 7213
CAS 95-01-2
Molecular Weight (g/mol) 138.12
ChEBI CHEBI:50198
MDL Number MFCD00011686
SMILES OC1=CC=C(C=O)C(O)=C1
Synonym beta-resorcylaldehyde,4-hydroxysalicylaldehyde,4-formylresorcinol,beta-resorcaldehyde,benzaldehyde, 2,4-dihydroxy,beta-resorcinaldehyde,beta-resorcylic aldehyde,2,4-dihydroxybenzenecarbonal,salicylaldehyde, 4-hydroxy,4-hydroxysalicyladehyde
IUPAC Name 2,4-dihydroxybenzaldehyde
InChI Key IUNJCFABHJZSKB-UHFFFAOYSA-N
Molecular Formula C7H6O3
2

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
3

5-Methylfurfural, 98+%

CAS: 620-02-0 Molecular Formula: C6H6O2 Molecular Weight (g/mol): 110.11 MDL Number: MFCD00003232 InChI Key: OUDFNZMQXZILJD-UHFFFAOYSA-N Synonym: 5-methylfurfural,5-methyl-2-furaldehyde,5-methyl furfural,5-methyl-2-furfural,2-furancarboxaldehyde, 5-methyl,5-methylfuran-2-al,5-methyl-2-furancarboxaldehyde,5-methylfurfuraldehyde,2-furaldehyde, 5-methyl,2-formyl-5-methylfuran PubChem CID: 12097 ChEBI: CHEBI:2091 IUPAC Name: 5-methylfuran-2-carbaldehyde SMILES: CC1=CC=C(O1)C=O

EDGE
PubChem CID 12097
CAS 620-02-0
Molecular Weight (g/mol) 110.11
ChEBI CHEBI:2091
MDL Number MFCD00003232
SMILES CC1=CC=C(O1)C=O
Synonym 5-methylfurfural,5-methyl-2-furaldehyde,5-methyl furfural,5-methyl-2-furfural,2-furancarboxaldehyde, 5-methyl,5-methylfuran-2-al,5-methyl-2-furancarboxaldehyde,5-methylfurfuraldehyde,2-furaldehyde, 5-methyl,2-formyl-5-methylfuran
IUPAC Name 5-methylfuran-2-carbaldehyde
InChI Key OUDFNZMQXZILJD-UHFFFAOYSA-N
Molecular Formula C6H6O2
4

Diethyl malonate, 99+%

CAS: 105-53-3 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.17 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

EDGE
PubChem CID 7761
CAS 105-53-3
Molecular Weight (g/mol) 160.17
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
5

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
6

4'-Methylacetophenone, 95%

CAS: 122-00-9 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00008751 InChI Key: GNKZMNRKLCTJAY-UHFFFAOYSA-N Synonym: 4'-methylacetophenone,p-methylacetophenone,1-p-tolyl ethanone,1-p-tolylethanone,melilotal,4-methylacetophenone,4-acetyltoluene,1-4-methylphenyl ethanone,methyl p-tolyl ketone,p-acetotoluene PubChem CID: 8500 IUPAC Name: 1-(4-methylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C)C=C1

EDGE
PubChem CID 8500
CAS 122-00-9
Molecular Weight (g/mol) 134.18
MDL Number MFCD00008751
SMILES CC(=O)C1=CC=C(C)C=C1
Synonym 4'-methylacetophenone,p-methylacetophenone,1-p-tolyl ethanone,1-p-tolylethanone,melilotal,4-methylacetophenone,4-acetyltoluene,1-4-methylphenyl ethanone,methyl p-tolyl ketone,p-acetotoluene
IUPAC Name 1-(4-methylphenyl)ethanone
InChI Key GNKZMNRKLCTJAY-UHFFFAOYSA-N
Molecular Formula C9H10O
7

3-Chloro-2,4-pentanedione, 98%

CAS: 1694-29-7 Molecular Formula: C5H7ClO2 Molecular Weight (g/mol): 134.56 MDL Number: MFCD00009651 InChI Key: VLRGXXKFHVJQOL-UHFFFAOYSA-N PubChem CID: 74328 IUPAC Name: 3-chloropentane-2,4-dione SMILES: CC(=O)C(C(=O)C)Cl

PubChem CID 74328
CAS 1694-29-7
Molecular Weight (g/mol) 134.56
MDL Number MFCD00009651
SMILES CC(=O)C(C(=O)C)Cl
IUPAC Name 3-chloropentane-2,4-dione
InChI Key VLRGXXKFHVJQOL-UHFFFAOYSA-N
Molecular Formula C5H7ClO2
8

Acetaldehyde, 99.5%, extra pure

CAS: 75-07-0 Molecular Formula: C2H4O Molecular Weight (g/mol): 44.04 MDL Number: MFCD00006991 InChI Key: IKHGUXGNUITLKF-UHFFFAOYSA-N Synonym: ethanal,acetic aldehyde,ethyl aldehyde,acetaldehyd,acetylaldehyde,aldehyde,acetic ethanol,aldeide acetica,octowy aldehyd,aldehyde acetique PubChem CID: 177 ChEBI: CHEBI:15343 IUPAC Name: acetaldehyde SMILES: CC=O

PubChem CID 177
CAS 75-07-0
Molecular Weight (g/mol) 44.04
ChEBI CHEBI:15343
MDL Number MFCD00006991
SMILES CC=O
Synonym ethanal,acetic aldehyde,ethyl aldehyde,acetaldehyd,acetylaldehyde,aldehyde,acetic ethanol,aldeide acetica,octowy aldehyd,aldehyde acetique
IUPAC Name acetaldehyde
InChI Key IKHGUXGNUITLKF-UHFFFAOYSA-N
Molecular Formula C2H4O
9

Acetaldehyde, 99.5%, extra pure, AcroSeal™

CAS: 75-07-0 Molecular Formula: C2H4O Molecular Weight (g/mol): 44.04 MDL Number: MFCD00006991 InChI Key: IKHGUXGNUITLKF-UHFFFAOYSA-N Synonym: ethanal,acetic aldehyde,ethyl aldehyde,acetaldehyd,acetylaldehyde,aldehyde,acetic ethanol,aldeide acetica,octowy aldehyd,aldehyde acetique PubChem CID: 177 ChEBI: CHEBI:15343 IUPAC Name: acetaldehyde SMILES: CC=O

PubChem CID 177
CAS 75-07-0
Molecular Weight (g/mol) 44.04
ChEBI CHEBI:15343
MDL Number MFCD00006991
SMILES CC=O
Synonym ethanal,acetic aldehyde,ethyl aldehyde,acetaldehyd,acetylaldehyde,aldehyde,acetic ethanol,aldeide acetica,octowy aldehyd,aldehyde acetique
IUPAC Name acetaldehyde
InChI Key IKHGUXGNUITLKF-UHFFFAOYSA-N
Molecular Formula C2H4O
10

Butyroin, 97%

CAS: 496-77-5 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00021928 InChI Key: BVEYJWQCMOVMAR-UHFFFAOYNA-N Synonym: butyroin,5-hydroxy-4-octanone,4-octanone, 5-hydroxy,5-octanol-4-one,octan-4-ol-5-one,fema no. 2587,5-hydroxy-octan-4-one,acmc-1aijr,ksc236m9n,+/--5-hydroxy-4-octanone PubChem CID: 219794 IUPAC Name: 5-hydroxyoctan-4-one SMILES: CCCC(O)C(=O)CCC

PubChem CID 219794
CAS 496-77-5
Molecular Weight (g/mol) 144.21
MDL Number MFCD00021928
SMILES CCCC(O)C(=O)CCC
Synonym butyroin,5-hydroxy-4-octanone,4-octanone, 5-hydroxy,5-octanol-4-one,octan-4-ol-5-one,fema no. 2587,5-hydroxy-octan-4-one,acmc-1aijr,ksc236m9n,+/--5-hydroxy-4-octanone
IUPAC Name 5-hydroxyoctan-4-one
InChI Key BVEYJWQCMOVMAR-UHFFFAOYNA-N
Molecular Formula C8H16O2
11

Dimethyl isobutylmalonate, 98%, Thermo Scientific™

CAS: 39520-24-6 Molecular Formula: C9H16O4 Molecular Weight (g/mol): 188.22 MDL Number: MFCD00015640 InChI Key: GAZFDPSEEIVCEX-UHFFFAOYSA-N Synonym: dimethyl isobutylmalonate,dimethyl 2-isobutylmalonate,dimethylisobutylmalonate,propanedioic acid, 2-2-methylpropyl-, 1,3-dimethyl ester,propanedioic acid, 2-methylpropyl-, dimethyl ester,1,3-dimethyl 2-2-methylpropyl propanedioate,malonic acid, isobutyl-, dimethyl ester,acmc-1ailj,dimethyl2-isobutylmalonate PubChem CID: 170218 IUPAC Name: dimethyl 2-(2-methylpropyl)propanedioate SMILES: COC(=O)C(CC(C)C)C(=O)OC

PubChem CID 170218
CAS 39520-24-6
Molecular Weight (g/mol) 188.22
MDL Number MFCD00015640
SMILES COC(=O)C(CC(C)C)C(=O)OC
Synonym dimethyl isobutylmalonate,dimethyl 2-isobutylmalonate,dimethylisobutylmalonate,propanedioic acid, 2-2-methylpropyl-, 1,3-dimethyl ester,propanedioic acid, 2-methylpropyl-, dimethyl ester,1,3-dimethyl 2-2-methylpropyl propanedioate,malonic acid, isobutyl-, dimethyl ester,acmc-1ailj,dimethyl2-isobutylmalonate
IUPAC Name dimethyl 2-(2-methylpropyl)propanedioate
InChI Key GAZFDPSEEIVCEX-UHFFFAOYSA-N
Molecular Formula C9H16O4
12

Mesityl oxide, 99%, mixture of alpha- and beta-isomers

CAS: 141-79-7 Molecular Formula: C6H10O Molecular Weight (g/mol): 98.14 InChI Key: SHOJXDKTYKFBRD-UHFFFAOYSA-N Synonym: mesityl oxide,4-methyl-3-penten-2-one,3-penten-2-one, 4-methyl,isopropylideneacetone,isobutenyl methyl ketone,methyl isobutenyl ketone,mesityloxid,mesityloxyde,3-isohexen-2-one,isopropylidene acetone PubChem CID: 8858 IUPAC Name: 4-methylpent-3-en-2-one SMILES: CC(=CC(=O)C)C

PubChem CID 8858
CAS 141-79-7
Molecular Weight (g/mol) 98.14
SMILES CC(=CC(=O)C)C
Synonym mesityl oxide,4-methyl-3-penten-2-one,3-penten-2-one, 4-methyl,isopropylideneacetone,isobutenyl methyl ketone,methyl isobutenyl ketone,mesityloxid,mesityloxyde,3-isohexen-2-one,isopropylidene acetone
IUPAC Name 4-methylpent-3-en-2-one
InChI Key SHOJXDKTYKFBRD-UHFFFAOYSA-N
Molecular Formula C6H10O
13

3-Butyn-2-one, 96%

CAS: 1423-60-5 Molecular Formula: C4H4O Molecular Weight (g/mol): 68.08 MDL Number: MFCD00008775 InChI Key: XRGPFNGLRSIPSA-UHFFFAOYSA-N Synonym: 3-butyn-2-one,1-butyn-3-one,methyl ethynyl ketone,acetylacetylene,butyn-2-one,acetylethyne,1-butyne-3-one,3-butyne-2-one,ethynyl methyl ketone,ch3coc#ch PubChem CID: 15018 ChEBI: CHEBI:48060 IUPAC Name: but-3-yn-2-one SMILES: CC(=O)C#C

PubChem CID 15018
CAS 1423-60-5
Molecular Weight (g/mol) 68.08
ChEBI CHEBI:48060
MDL Number MFCD00008775
SMILES CC(=O)C#C
Synonym 3-butyn-2-one,1-butyn-3-one,methyl ethynyl ketone,acetylacetylene,butyn-2-one,acetylethyne,1-butyne-3-one,3-butyne-2-one,ethynyl methyl ketone,ch3coc#ch
IUPAC Name but-3-yn-2-one
InChI Key XRGPFNGLRSIPSA-UHFFFAOYSA-N
Molecular Formula C4H4O
14

1-Chloroanthraquinone, 98%, Thermo Scientific™

CAS: 82-44-0 MDL Number: MFCD00001189 InChI Key: BOCJQSFSGAZAPQ-UHFFFAOYSA-N Synonym: 1-chloroanthraquinone,1-chloro anthraquinone,anthraquinone, 1-chloro,1-chloro-9,10-anthraquinone,9,10-anthracenedione, 1-chloro,1-chloranthrachinon,1-chloranthrachinon czech,alpha-chloroanthraquinone,alpha-monochloroanthraquinone,unii-96s5sqv15v PubChem CID: 6709 IUPAC Name: 1-chloroanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)Cl

PubChem CID 6709
CAS 82-44-0
MDL Number MFCD00001189
SMILES C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)Cl
Synonym 1-chloroanthraquinone,1-chloro anthraquinone,anthraquinone, 1-chloro,1-chloro-9,10-anthraquinone,9,10-anthracenedione, 1-chloro,1-chloranthrachinon,1-chloranthrachinon czech,alpha-chloroanthraquinone,alpha-monochloroanthraquinone,unii-96s5sqv15v
IUPAC Name 1-chloroanthracene-9,10-dione
InChI Key BOCJQSFSGAZAPQ-UHFFFAOYSA-N
15

3,4-Dibenzyloxybenzaldehyde, 99%

CAS: 5447-02-9 Molecular Formula: C21H18O3 Molecular Weight (g/mol): 318.36 MDL Number: MFCD00004776 InChI Key: XDDLXZHBWVFPRG-UHFFFAOYSA-N Synonym: 3,4-dibenzyloxybenzaldehyde,3,4-bis benzyloxy benzaldehyde,3,4-dibenzyloxy benzaldehyde,3,4-bis phenylmethoxy benzaldehyde,xddlxzhbwvfprg-uhfffaoysa-n,3.4-dibenzyloxybenzaldehyde,3,4-dibenzyloxy-benzaldehyde,3,4-dibenzyl-oxybenzaldehyde,benzaldehyde, 3,4-dibenzyloxy,xddlxzhbwvfprg-uhfffaoysa PubChem CID: 79526

PubChem CID 79526
CAS 5447-02-9
Molecular Weight (g/mol) 318.36
MDL Number MFCD00004776
Synonym 3,4-dibenzyloxybenzaldehyde,3,4-bis benzyloxy benzaldehyde,3,4-dibenzyloxy benzaldehyde,3,4-bis phenylmethoxy benzaldehyde,xddlxzhbwvfprg-uhfffaoysa-n,3.4-dibenzyloxybenzaldehyde,3,4-dibenzyloxy-benzaldehyde,3,4-dibenzyl-oxybenzaldehyde,benzaldehyde, 3,4-dibenzyloxy,xddlxzhbwvfprg-uhfffaoysa
InChI Key XDDLXZHBWVFPRG-UHFFFAOYSA-N
Molecular Formula C21H18O3