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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 (1,721)
Complex Aldehydes (828)
Alpha beta-unsaturated carbonyl compounds (229)
Dicarbonyl Compounds (179)
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alpha,alpha,alpha-Trifluoroacetophenone, 99%

CAS: 434-45-7 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.12 MDL Number: MFCD00000420 InChI Key: KZJRKRQSDZGHEC-UHFFFAOYSA-N Synonym: trifluoroacetophenone,2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-phenylethan-1-one,phenyl trifluoromethyl ketone,trifluoromethyl phenyl ketone,alpha,alpha,alpha-trifluoroacetophenone,ethanone, 2,2,2-trifluoro-1-phenyl,2,2,2-trifluoro-1-phenyl-ethanone,trifluoroacetylbenzene,unii-6t7l1upy09 PubChem CID: 9905 IUPAC Name: 2,2,2-trifluoro-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C(F)(F)F

PubChem CID 9905
CAS 434-45-7
Molecular Weight (g/mol) 174.12
MDL Number MFCD00000420
SMILES C1=CC=C(C=C1)C(=O)C(F)(F)F
Synonym trifluoroacetophenone,2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-phenylethan-1-one,phenyl trifluoromethyl ketone,trifluoromethyl phenyl ketone,alpha,alpha,alpha-trifluoroacetophenone,ethanone, 2,2,2-trifluoro-1-phenyl,2,2,2-trifluoro-1-phenyl-ethanone,trifluoroacetylbenzene,unii-6t7l1upy09
IUPAC Name 2,2,2-trifluoro-1-phenylethanone
InChI Key KZJRKRQSDZGHEC-UHFFFAOYSA-N
Molecular Formula C8H5F3O
3
Promotions Available

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
4

alpha-Bromo-2'-acetonaphthone, 98%

CAS: 613-54-7 MDL Number: MFCD00004109 InChI Key: YHXHHGDUANVQHE-UHFFFAOYSA-N Synonym: 2-bromo-2'-acetonaphthone,bromomethyl 2-naphthyl ketone,2-bromoacetyl naphthalene,2-bromo-1-naphthalen-2-yl ethanone,2-bromo-1-2-naphthyl-1-ethanone,ethanone, 2-bromo-1-2-naphthalenyl,2-bromo-1-2-naphthyl ethanone,2-bromo-1-naphthalen-2-yl ethan-1-one,alpha-bromo-2'-acetonaphthone,2-bromo-1-naphthalen-2-yl-ethanone PubChem CID: 69179 IUPAC Name: 2-bromo-1-naphthalen-2-ylethanone SMILES: C1=CC=C2C=C(C=CC2=C1)C(=O)CBr

PubChem CID 69179
CAS 613-54-7
MDL Number MFCD00004109
SMILES C1=CC=C2C=C(C=CC2=C1)C(=O)CBr
Synonym 2-bromo-2'-acetonaphthone,bromomethyl 2-naphthyl ketone,2-bromoacetyl naphthalene,2-bromo-1-naphthalen-2-yl ethanone,2-bromo-1-2-naphthyl-1-ethanone,ethanone, 2-bromo-1-2-naphthalenyl,2-bromo-1-2-naphthyl ethanone,2-bromo-1-naphthalen-2-yl ethan-1-one,alpha-bromo-2'-acetonaphthone,2-bromo-1-naphthalen-2-yl-ethanone
IUPAC Name 2-bromo-1-naphthalen-2-ylethanone
InChI Key YHXHHGDUANVQHE-UHFFFAOYSA-N
6

Glyoxal, 40% w/w aq. soln.

CAS: 107-22-2 Molecular Formula: C2H2O2 Molecular Weight (g/mol): 58.036 MDL Number: MFCD00006957 InChI Key: LEQAOMBKQFMDFZ-UHFFFAOYSA-N Synonym: glyoxal,ethanedial,oxalaldehyde,1,2-ethanedione,glyoxylaldehyde,biformal,biformyl,diformal,diformyl,aerotex glyoxal 40 PubChem CID: 7860 ChEBI: CHEBI:34779 IUPAC Name: oxaldehyde SMILES: C(=O)C=O

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PubChem CID 7860
CAS 107-22-2
Molecular Weight (g/mol) 58.036
ChEBI CHEBI:34779
MDL Number MFCD00006957
SMILES C(=O)C=O
Synonym glyoxal,ethanedial,oxalaldehyde,1,2-ethanedione,glyoxylaldehyde,biformal,biformyl,diformal,diformyl,aerotex glyoxal 40
IUPAC Name oxaldehyde
InChI Key LEQAOMBKQFMDFZ-UHFFFAOYSA-N
Molecular Formula C2H2O2
7

Acetophenone, 99%

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

EDGE
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

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
10

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

EDGE
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
11

Thermo Scientific Chemicals D-Fructose, 99%

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

EDGE
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
12

Propiophenone, 99%

CAS: 93-55-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00009309 InChI Key: KRIOVPPHQSLHCZ-UHFFFAOYSA-N Synonym: propiophenone,ethyl phenyl ketone,propionylbenzene,1-phenyl-1-propanone,1-propanone, 1-phenyl,phenyl ethyl ketone,ketone, ethyl phenyl,propionphenone,usaf ek-1235,1-phenyl-propan-1-one PubChem CID: 7148 ChEBI: CHEBI:425902 IUPAC Name: 1-phenylpropan-1-one SMILES: CCC(=O)C1=CC=CC=C1

EDGE
PubChem CID 7148
CAS 93-55-0
Molecular Weight (g/mol) 134.178
ChEBI CHEBI:425902
MDL Number MFCD00009309
SMILES CCC(=O)C1=CC=CC=C1
Synonym propiophenone,ethyl phenyl ketone,propionylbenzene,1-phenyl-1-propanone,1-propanone, 1-phenyl,phenyl ethyl ketone,ketone, ethyl phenyl,propionphenone,usaf ek-1235,1-phenyl-propan-1-one
IUPAC Name 1-phenylpropan-1-one
InChI Key KRIOVPPHQSLHCZ-UHFFFAOYSA-N
Molecular Formula C9H10O
13

Diethyl malonate, 99%

CAS: 105-53-3 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.169 MDL Number: MFCD00009195 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) 160.169
MDL Number MFCD00009195
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
14

Thermo Scientific Chemicals 2-Deoxy-D-ribose, 99%

CAS: 533-67-5 Molecular Formula: C5H10O4 Molecular Weight (g/mol): 134.13 MDL Number: MFCD00135904 InChI Key: PDWIQYODPROSQH-GLULIZFNNA-N Synonym: 2-deoxy-d-ribose,thyminose,3s,4r-3,4,5-trihydroxypentanal,deoxyribose,2-deoxy-d-erythro-pentose,2-deoxyribose,d-drib,2-deoxy-d-arabinose,unii-lsw4h01241,2-deoxy-d-erythropentose PubChem CID: 5460005 ChEBI: CHEBI:28816 IUPAC Name: (3S,4R)-3,4,5-trihydroxypentanal SMILES: OC[C@H]1OC(O)C[C@@H]1O

EDGE
PubChem CID 5460005
CAS 533-67-5
Molecular Weight (g/mol) 134.13
ChEBI CHEBI:28816
MDL Number MFCD00135904
SMILES OC[C@H]1OC(O)C[C@@H]1O
Synonym 2-deoxy-d-ribose,thyminose,3s,4r-3,4,5-trihydroxypentanal,deoxyribose,2-deoxy-d-erythro-pentose,2-deoxyribose,d-drib,2-deoxy-d-arabinose,unii-lsw4h01241,2-deoxy-d-erythropentose
IUPAC Name (3S,4R)-3,4,5-trihydroxypentanal
InChI Key PDWIQYODPROSQH-GLULIZFNNA-N
Molecular Formula C5H10O4
15

Imidazole-2-carboxaldehyde, 97%

CAS: 10111-08-7 Molecular Formula: C4H4N2O Molecular Weight (g/mol): 96.09 MDL Number: MFCD00003544 InChI Key: XYHKNCXZYYTLRG-UHFFFAOYSA-N Synonym: imidazole-2-carboxaldehyde,2-formylimidazole,1h-imidazole-2-carboxaldehyde,imidazole-2-carbaldehyde,2-imidazolecarboxaldehyde,imidazole-2-aldehyde,1h-imidazolecarboxaldehyde,2-formyl imidazole,imidazol-2-carbaldehyde,2-formyl-1h-imidazole PubChem CID: 24955 IUPAC Name: 1H-imidazole-2-carbaldehyde SMILES: O=CC1=NC=CN1

EDGE
PubChem CID 24955
CAS 10111-08-7
Molecular Weight (g/mol) 96.09
MDL Number MFCD00003544
SMILES O=CC1=NC=CN1
Synonym imidazole-2-carboxaldehyde,2-formylimidazole,1h-imidazole-2-carboxaldehyde,imidazole-2-carbaldehyde,2-imidazolecarboxaldehyde,imidazole-2-aldehyde,1h-imidazolecarboxaldehyde,2-formyl imidazole,imidazol-2-carbaldehyde,2-formyl-1h-imidazole
IUPAC Name 1H-imidazole-2-carbaldehyde
InChI Key XYHKNCXZYYTLRG-UHFFFAOYSA-N
Molecular Formula C4H4N2O