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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 (4,300)
Complex Aldehydes (3,457)
Dicarbonyl Compounds (533)
Alpha beta-unsaturated carbonyl compounds (495)
Acyloins (53)

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1 – 15 of 5,994 results
1

trans-2-Decenal, 95%

CAS: 3913-81-3 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.25 MDL Number: MFCD00014679 InChI Key: MMFCJPPRCYDLLZ-CMDGGOBGSA-N Synonym: trans-2-decenal,e-dec-2-enal,2-decenal,decenal,e-2-decenal,3-heptylacrolein,decenaldehyde,decylenic aldehyde,2-decenal, 2e,2-decenal, e PubChem CID: 5283345 IUPAC Name: (2E)-dec-2-enal SMILES: CCCCCCC\C=C\C=O

EDGE
PubChem CID 5283345
CAS 3913-81-3
Molecular Weight (g/mol) 154.25
MDL Number MFCD00014679
SMILES CCCCCCC\C=C\C=O
Synonym trans-2-decenal,e-dec-2-enal,2-decenal,decenal,e-2-decenal,3-heptylacrolein,decenaldehyde,decylenic aldehyde,2-decenal, 2e,2-decenal, e
IUPAC Name (2E)-dec-2-enal
InChI Key MMFCJPPRCYDLLZ-CMDGGOBGSA-N
Molecular Formula C10H18O
2

Benzyl 4-hydroxyphenyl ketone, 97%

CAS: 2491-32-9 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00002360 InChI Key: JBQTZLNCDIFCCO-UHFFFAOYSA-N Synonym: benzyl 4-hydroxyphenyl ketone,1-4-hydroxyphenyl-2-phenylethanone,4-hydroxydeoxybenzoin,acetophenone, 4'-hydroxy-2-phenyl,1-4-hydroxyphenyl-2-phenylethan-1-one,ethanone, 1-4-hydroxyphenyl-2-phenyl,acmc-20alpm,4-hydroxydesoxybenzoin,p-phenylacetyl phenol,maybridge3_000426 PubChem CID: 75607 IUPAC Name: 1-(4-hydroxyphenyl)-2-phenylethanone SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)O

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PubChem CID 75607
CAS 2491-32-9
Molecular Weight (g/mol) 212.25
MDL Number MFCD00002360
SMILES C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)O
Synonym benzyl 4-hydroxyphenyl ketone,1-4-hydroxyphenyl-2-phenylethanone,4-hydroxydeoxybenzoin,acetophenone, 4'-hydroxy-2-phenyl,1-4-hydroxyphenyl-2-phenylethan-1-one,ethanone, 1-4-hydroxyphenyl-2-phenyl,acmc-20alpm,4-hydroxydesoxybenzoin,p-phenylacetyl phenol,maybridge3_000426
IUPAC Name 1-(4-hydroxyphenyl)-2-phenylethanone
InChI Key JBQTZLNCDIFCCO-UHFFFAOYSA-N
Molecular Formula C14H12O2
3

Deoxybenzoin, 97%

CAS: 451-40-1 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.25 MDL Number: MFCD00003081 InChI Key: OTKCEEWUXHVZQI-UHFFFAOYSA-N Synonym: 2-phenylacetophenone,deoxybenzoin,benzyl phenyl ketone,ethanone, 1,2-diphenyl,desoxybenzoin,1,2-diphenylethan-1-one,phenyl benzyl ketone,benzoin, deoxy,acetophenone, 2-phenyl,deoxy benzoin PubChem CID: 9948 IUPAC Name: 1,2-diphenylethanone SMILES: O=C(CC1=CC=CC=C1)C1=CC=CC=C1

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PubChem CID 9948
CAS 451-40-1
Molecular Weight (g/mol) 196.25
MDL Number MFCD00003081
SMILES O=C(CC1=CC=CC=C1)C1=CC=CC=C1
Synonym 2-phenylacetophenone,deoxybenzoin,benzyl phenyl ketone,ethanone, 1,2-diphenyl,desoxybenzoin,1,2-diphenylethan-1-one,phenyl benzyl ketone,benzoin, deoxy,acetophenone, 2-phenyl,deoxy benzoin
IUPAC Name 1,2-diphenylethanone
InChI Key OTKCEEWUXHVZQI-UHFFFAOYSA-N
Molecular Formula C14H12O
4

Vanillin, 99%

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
5

D-(-)-Fructose 99.0+%, TCI America™
SDP

CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00148910 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

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PubChem CID 5984
CAS 57-48-7
Molecular Weight (g/mol) 180.156
ChEBI CHEBI:48095
MDL Number MFCD00148910
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
6

Furfural 98.0+%, TCI America™
SDP

CAS: 98-01-1 Molecular Formula: C5H4O2 Molecular Weight (g/mol): 96.09 MDL Number: MFCD00003229 InChI Key: HYBBIBNJHNGZAN-UHFFFAOYSA-N Synonym: furfural,2-furaldehyde,2-furancarboxaldehyde,furaldehyde,2-formylfuran,furfuraldehyde,fural,2-furanaldehyde,2-furancarbonal,2-furfural PubChem CID: 7362 ChEBI: CHEBI:34768 IUPAC Name: furan-2-carbaldehyde SMILES: O=CC1=CC=CO1

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PubChem CID 7362
CAS 98-01-1
Molecular Weight (g/mol) 96.09
ChEBI CHEBI:34768
MDL Number MFCD00003229
SMILES O=CC1=CC=CO1
Synonym furfural,2-furaldehyde,2-furancarboxaldehyde,furaldehyde,2-formylfuran,furfuraldehyde,fural,2-furanaldehyde,2-furancarbonal,2-furfural
IUPAC Name furan-2-carbaldehyde
InChI Key HYBBIBNJHNGZAN-UHFFFAOYSA-N
Molecular Formula C5H4O2
7

Acetophenone 98.5+%, TCI America™
SDP

CAS: 98-86-2 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.151 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

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PubChem CID 7410
CAS 98-86-2
Molecular Weight (g/mol) 120.151
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
Molecular Formula C8H8O
8

4'-(Trifluoromethoxy)acetophenone, 98%, Thermo Scientific™

CAS: 85013-98-5 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.15 MDL Number: MFCD00042404 InChI Key: MOEXTBIPPMLEFX-UHFFFAOYSA-N Synonym: 4'-trifluoromethoxy acetophenone,1-4-trifluoromethoxy phenyl ethanone,4-trifluoromethoxy acetophenone,1-4-trifluoromethoxy phenyl ethan-1-one,4'-trifluoromethoxyacetophenone,1-4-trifluoromethoxy-phenyl-ethanone,ethanone, 1-4-trifluoromethoxy phenyl,4-trifluoromethoxyacetophenone PubChem CID: 522821 IUPAC Name: 1-[4-(trifluoromethoxy)phenyl]ethanone SMILES: CC(=O)C1=CC=C(OC(F)(F)F)C=C1

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PubChem CID 522821
CAS 85013-98-5
Molecular Weight (g/mol) 204.15
MDL Number MFCD00042404
SMILES CC(=O)C1=CC=C(OC(F)(F)F)C=C1
Synonym 4'-trifluoromethoxy acetophenone,1-4-trifluoromethoxy phenyl ethanone,4-trifluoromethoxy acetophenone,1-4-trifluoromethoxy phenyl ethan-1-one,4'-trifluoromethoxyacetophenone,1-4-trifluoromethoxy-phenyl-ethanone,ethanone, 1-4-trifluoromethoxy phenyl,4-trifluoromethoxyacetophenone
IUPAC Name 1-[4-(trifluoromethoxy)phenyl]ethanone
InChI Key MOEXTBIPPMLEFX-UHFFFAOYSA-N
Molecular Formula C9H7F3O2
9

3'-Hydroxyacetophenone, 99+%

CAS: 121-71-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002298 InChI Key: LUJMEECXHPYQOF-UHFFFAOYSA-N Synonym: 3'-hydroxyacetophenone,3-hydroxyacetophenone,1-3-hydroxyphenyl ethanone,m-hydroxyacetophenone,3-acetylphenol,1-3-hydroxyphenyl ethan-1-one,ethanone, 1-3-hydroxyphenyl,m-acetylphenol,3-hydroxy acetophenone,3-acetophenol PubChem CID: 8487 IUPAC Name: 1-(3-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)O

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PubChem CID 8487
CAS 121-71-1
Molecular Weight (g/mol) 136.15
MDL Number MFCD00002298
SMILES CC(=O)C1=CC(=CC=C1)O
Synonym 3'-hydroxyacetophenone,3-hydroxyacetophenone,1-3-hydroxyphenyl ethanone,m-hydroxyacetophenone,3-acetylphenol,1-3-hydroxyphenyl ethan-1-one,ethanone, 1-3-hydroxyphenyl,m-acetylphenol,3-hydroxy acetophenone,3-acetophenol
IUPAC Name 1-(3-hydroxyphenyl)ethanone
InChI Key LUJMEECXHPYQOF-UHFFFAOYSA-N
Molecular Formula C8H8O2
10

Acetoin, 96%, dimer

CAS: 513-86-0 Molecular Formula: C8H16O4 Molecular Weight (g/mol): 176.21 MDL Number: MFCD00038696 InChI Key: DFMGATPNJMFDCR-UHFFFAOYNA-N Synonym: acetoin,3-hydroxy-2-butanone,acetyl methyl carbinol,dimethylketol,2-butanone, 3-hydroxy,acetylmethylcarbinol,2,3-butanolone,2-hydroxy-3-butanone,1-hydroxyethyl methyl ketone,methanol, acetylmethyl PubChem CID: 179 ChEBI: CHEBI:15688 IUPAC Name: 3-hydroxybutan-2-one SMILES: CC1OC(C)(O)C(C)OC1(C)O

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PubChem CID 179
CAS 513-86-0
Molecular Weight (g/mol) 176.21
ChEBI CHEBI:15688
MDL Number MFCD00038696
SMILES CC1OC(C)(O)C(C)OC1(C)O
Synonym acetoin,3-hydroxy-2-butanone,acetyl methyl carbinol,dimethylketol,2-butanone, 3-hydroxy,acetylmethylcarbinol,2,3-butanolone,2-hydroxy-3-butanone,1-hydroxyethyl methyl ketone,methanol, acetylmethyl
IUPAC Name 3-hydroxybutan-2-one
InChI Key DFMGATPNJMFDCR-UHFFFAOYNA-N
Molecular Formula C8H16O4
11

3,5-Di-tert-butyl-4-hydroxybenzaldehyde, 97%, Thermo Scientific Chemicals

CAS: 1620-98-0 MDL Number: MFCD00008826 InChI Key: DOZRDZLFLOODMB-UHFFFAOYSA-N Synonym: 3,5-di-tert-butyl-4-hydroxybenzaldehyde,3,5-di-t-butyl-4-hydroxybenzaldehyde,unii-95vti93vul,benzaldehyde, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzaldehyde, 3,5-di-tert-butyl-4-hydroxy,95vti93vul,3,5-ditert-butyl-4-hydroxy-benzaldehyde,3,5-di tert-butyl-4-hydroxybenzaldehyde,3,5-di-tert-butyl-4-hydroxy-benzaldehyde,3,5-bis tert-butyl-4-hydroxybenzaldehyde PubChem CID: 73219 IUPAC Name: 3,5-ditert-butyl-4-hydroxybenzaldehyde SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O

EDGE
PubChem CID 73219
CAS 1620-98-0
MDL Number MFCD00008826
SMILES CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=O
Synonym 3,5-di-tert-butyl-4-hydroxybenzaldehyde,3,5-di-t-butyl-4-hydroxybenzaldehyde,unii-95vti93vul,benzaldehyde, 3,5-bis 1,1-dimethylethyl-4-hydroxy,benzaldehyde, 3,5-di-tert-butyl-4-hydroxy,95vti93vul,3,5-ditert-butyl-4-hydroxy-benzaldehyde,3,5-di tert-butyl-4-hydroxybenzaldehyde,3,5-di-tert-butyl-4-hydroxy-benzaldehyde,3,5-bis tert-butyl-4-hydroxybenzaldehyde
IUPAC Name 3,5-ditert-butyl-4-hydroxybenzaldehyde
InChI Key DOZRDZLFLOODMB-UHFFFAOYSA-N
12

Ethyl butyrylacetate, 98%

CAS: 3249-68-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00009401 InChI Key: KQWWVLVLVYYYDT-UHFFFAOYSA-N Synonym: ethyl butyrylacetate,ethyl butyroacetate,hexanoic acid, 3-oxo-, ethyl ester,ethyl beta-ketohexanoate,ethyl alpha-butyrylacetate,3-ketohexanoic acid ethyl ester,ethyl-3-oxohexanoate,unii-8q1ahg710e,ethyl .alpha.-butyrylacetate,fema no. 3683 PubChem CID: 238498 ChEBI: CHEBI:18119 IUPAC Name: ethyl 3-oxohexanoate SMILES: CCCC(=O)CC(=O)OCC

EDGE
PubChem CID 238498
CAS 3249-68-1
Molecular Weight (g/mol) 158.20
ChEBI CHEBI:18119
MDL Number MFCD00009401
SMILES CCCC(=O)CC(=O)OCC
Synonym ethyl butyrylacetate,ethyl butyroacetate,hexanoic acid, 3-oxo-, ethyl ester,ethyl beta-ketohexanoate,ethyl alpha-butyrylacetate,3-ketohexanoic acid ethyl ester,ethyl-3-oxohexanoate,unii-8q1ahg710e,ethyl .alpha.-butyrylacetate,fema no. 3683
IUPAC Name ethyl 3-oxohexanoate
InChI Key KQWWVLVLVYYYDT-UHFFFAOYSA-N
Molecular Formula C8H14O3
13

Ethyl 4,4,4-trifluoroacetoacetate, 97%

CAS: 372-31-6 Molecular Formula: C6H7F3O3 Molecular Weight (g/mol): 184.11 MDL Number: MFCD00000424 InChI Key: OCJKUQIPRNZDTK-UHFFFAOYSA-N Synonym: ethyl 4,4,4-trifluoroacetoacetate,ethyl trifluoroacetoacetate,butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester,4,4,4-trifluoro-3-oxobutanoic acid ethyl ester,ethyl trifluoroacetyl acetate,etfaa,4,4,4-trifluoroacetoacetic acid ethyl ester,ethyl-4,4,4-trifluoroacetoacetate,trifluoroacetoacetic acid ethyl ester,4,4,4-trifluoro-3-oxo-butyric acid ethyl ester PubChem CID: 67793 IUPAC Name: ethyl 4,4,4-trifluoro-3-oxobutanoate SMILES: CCOC(=O)CC(=O)C(F)(F)F

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PubChem CID 67793
CAS 372-31-6
Molecular Weight (g/mol) 184.11
MDL Number MFCD00000424
SMILES CCOC(=O)CC(=O)C(F)(F)F
Synonym ethyl 4,4,4-trifluoroacetoacetate,ethyl trifluoroacetoacetate,butanoic acid, 4,4,4-trifluoro-3-oxo-, ethyl ester,4,4,4-trifluoro-3-oxobutanoic acid ethyl ester,ethyl trifluoroacetyl acetate,etfaa,4,4,4-trifluoroacetoacetic acid ethyl ester,ethyl-4,4,4-trifluoroacetoacetate,trifluoroacetoacetic acid ethyl ester,4,4,4-trifluoro-3-oxo-butyric acid ethyl ester
IUPAC Name ethyl 4,4,4-trifluoro-3-oxobutanoate
InChI Key OCJKUQIPRNZDTK-UHFFFAOYSA-N
Molecular Formula C6H7F3O3
14

2-Acetylbenzoic acid, 99%

CAS: 577-56-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00002475 InChI Key: QDAWXRKTSATEOP-UHFFFAOYSA-N Synonym: o-acetylbenzoic acid,benzoic acid, 2-acetyl,2-acetylbenzoicacid,acetophenone-2-carboxylic acid,2-acetyl-benzoic acid,benzoic acid, acetyl,3-hydroxy-3-methylphthalide,2'-acetophenonecarboxylic acid,acetophenone-2'-carboxylic acid,methyl phenyl ketone-o-carboxylic acid PubChem CID: 68474 IUPAC Name: 2-acetylbenzoic acid SMILES: CC(=O)C1=CC=CC=C1C(O)=O

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PubChem CID 68474
CAS 577-56-0
Molecular Weight (g/mol) 164.16
MDL Number MFCD00002475
SMILES CC(=O)C1=CC=CC=C1C(O)=O
Synonym o-acetylbenzoic acid,benzoic acid, 2-acetyl,2-acetylbenzoicacid,acetophenone-2-carboxylic acid,2-acetyl-benzoic acid,benzoic acid, acetyl,3-hydroxy-3-methylphthalide,2'-acetophenonecarboxylic acid,acetophenone-2'-carboxylic acid,methyl phenyl ketone-o-carboxylic acid
IUPAC Name 2-acetylbenzoic acid
InChI Key QDAWXRKTSATEOP-UHFFFAOYSA-N
Molecular Formula C9H8O3
15

3-Acetylpyridine, 98%

CAS: 350-03-8 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.14 MDL Number: MFCD00006396 InChI Key: WEGYGNROSJDEIW-UHFFFAOYSA-N Synonym: 3-acetylpyridine,1-pyridin-3-yl ethanone,3-acetopyridine,1-3-pyridinyl ethanone,methyl 3-pyridyl ketone,ethanone, 1-3-pyridinyl,ketone, methyl 3-pyridyl,3-acetyl pyridine,3-pyridyl methyl ketone,1-pyridin-3-yl ethan-1-one PubChem CID: 9589 IUPAC Name: 1-pyridin-3-ylethanone SMILES: CC(=O)C1=CN=CC=C1

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PubChem CID 9589
CAS 350-03-8
Molecular Weight (g/mol) 121.14
MDL Number MFCD00006396
SMILES CC(=O)C1=CN=CC=C1
Synonym 3-acetylpyridine,1-pyridin-3-yl ethanone,3-acetopyridine,1-3-pyridinyl ethanone,methyl 3-pyridyl ketone,ethanone, 1-3-pyridinyl,ketone, methyl 3-pyridyl,3-acetyl pyridine,3-pyridyl methyl ketone,1-pyridin-3-yl ethan-1-one
IUPAC Name 1-pyridin-3-ylethanone
InChI Key WEGYGNROSJDEIW-UHFFFAOYSA-N
Molecular Formula C7H7NO