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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 (300)
Complex Aldehydes (190)
Dicarbonyl Compounds (39)
Acyloins (16)
Alpha beta-unsaturated carbonyl compounds (16)

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1

L-(-)-Sorbose, ≥98%, For HPLC analysis, MP Biomedicals™

CAS: 87-79-6 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 InChI Key: BJHIKXHVCXFQLS-OTWZMJIISA-N Synonym: l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose PubChem CID: 6904 ChEBI: CHEBI:13172 IUPAC Name: (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

PubChem CID 6904
CAS 87-79-6
Molecular Weight (g/mol) 180.156
ChEBI CHEBI:13172
SMILES C(C(C(C(C(=O)CO)O)O)O)O
Synonym l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose
IUPAC Name (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key BJHIKXHVCXFQLS-OTWZMJIISA-N
Molecular Formula C6H12O6
2

D-(-)-Fructose 99.0+%, TCI America™

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
3

Quinizarin 97.0+%, TCI America™

CAS: 81-64-1 Molecular Formula: C14H8O4 Molecular Weight (g/mol): 240.214 MDL Number: MFCD00001209 InChI Key: GUEIZVNYDFNHJU-UHFFFAOYSA-N Synonym: quinizarin,1,4-dihydroxyanthraquinone,quinizarine,chinizarin,solvent orange 86,1,4-dihydroxyanthrachinon,smoke orange r,1,4-dihydroxy-9,10-anthraquinone,macrolex orange gg,9,10-anthracenedione, 1,4-dihydroxy PubChem CID: 6688 ChEBI: CHEBI:37487 IUPAC Name: 1,4-dihydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O

PubChem CID 6688
CAS 81-64-1
Molecular Weight (g/mol) 240.214
ChEBI CHEBI:37487
MDL Number MFCD00001209
SMILES C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O
Synonym quinizarin,1,4-dihydroxyanthraquinone,quinizarine,chinizarin,solvent orange 86,1,4-dihydroxyanthrachinon,smoke orange r,1,4-dihydroxy-9,10-anthraquinone,macrolex orange gg,9,10-anthracenedione, 1,4-dihydroxy
IUPAC Name 1,4-dihydroxyanthracene-9,10-dione
InChI Key GUEIZVNYDFNHJU-UHFFFAOYSA-N
Molecular Formula C14H8O4
4

Phenacyl Bromide 98.0+%, TCI America™

CAS: 70-11-1 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.047 MDL Number: MFCD00000195 InChI Key: LIGACIXOYTUXAW-UHFFFAOYSA-N Synonym: 2-bromoacetophenone,phenacyl bromide,2-bromo-1-phenylethan-1-one,bromoacetophenone,ethanone, 2-bromo-1-phenyl,bromomethyl phenyl ketone,alpha-bromoacetophenone,stauffer 4644,omega-bromoacetophenone,acetophenone, 2-bromo PubChem CID: 6259 ChEBI: CHEBI:51846 IUPAC Name: 2-bromo-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CBr

PubChem CID 6259
CAS 70-11-1
Molecular Weight (g/mol) 199.047
ChEBI CHEBI:51846
MDL Number MFCD00000195
SMILES C1=CC=C(C=C1)C(=O)CBr
Synonym 2-bromoacetophenone,phenacyl bromide,2-bromo-1-phenylethan-1-one,bromoacetophenone,ethanone, 2-bromo-1-phenyl,bromomethyl phenyl ketone,alpha-bromoacetophenone,stauffer 4644,omega-bromoacetophenone,acetophenone, 2-bromo
IUPAC Name 2-bromo-1-phenylethanone
InChI Key LIGACIXOYTUXAW-UHFFFAOYSA-N
Molecular Formula C8H7BrO
5
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1,4-Dihydroxyanthraquinone, 95%

CAS: 81-64-1 Molecular Formula: C14H8O4 Molecular Weight (g/mol): 240.214 MDL Number: MFCD00001209 InChI Key: GUEIZVNYDFNHJU-UHFFFAOYSA-N Synonym: quinizarin,1,4-dihydroxyanthraquinone,quinizarine,chinizarin,solvent orange 86,1,4-dihydroxyanthrachinon,smoke orange r,1,4-dihydroxy-9,10-anthraquinone,macrolex orange gg,9,10-anthracenedione, 1,4-dihydroxy PubChem CID: 6688 ChEBI: CHEBI:37487 IUPAC Name: 1,4-dihydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O

PubChem CID 6688
CAS 81-64-1
Molecular Weight (g/mol) 240.214
ChEBI CHEBI:37487
MDL Number MFCD00001209
SMILES C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O
Synonym quinizarin,1,4-dihydroxyanthraquinone,quinizarine,chinizarin,solvent orange 86,1,4-dihydroxyanthrachinon,smoke orange r,1,4-dihydroxy-9,10-anthraquinone,macrolex orange gg,9,10-anthracenedione, 1,4-dihydroxy
IUPAC Name 1,4-dihydroxyanthracene-9,10-dione
InChI Key GUEIZVNYDFNHJU-UHFFFAOYSA-N
Molecular Formula C14H8O4
6

D-(+)-Melibiose Monohydrate 99.0+%, TCI America™

CAS: 66009-10-7 Molecular Formula: C12H24O12 Molecular Weight (g/mol): 360.31 MDL Number: MFCD00198188 InChI Key: CHIDEFLSUMQFBY-UHFFFAOYNA-N Synonym: d +-melibiose monohydrate,d-+-melibiose hydrate,585-99-9 anhydrous,melibiose hplc,6-,a-d-galactopyranosyl-d-glucopyranose,6-o-a-d-galactopyranosyl-d-glucopyranose hydrate,6-o-a-d-galactopyranosyl-d-glucose monohydrate,6-o-a-d-galactopyranosyl-d-glucopyranose monohydrate,6-o-alpha-d-galactopyranosyl-d-glucose monohydrate,d-glucose, 6-o-a-d-galactopyranosyl-, monohydrate 9ci PubChem CID: 71308738 IUPAC Name: 2,3,4,5-tetrahydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate SMILES: O.OCC1OC(OCC(O)C(O)C(O)C(O)C=O)C(O)C(O)C1O

PubChem CID 71308738
CAS 66009-10-7
Molecular Weight (g/mol) 360.31
MDL Number MFCD00198188
SMILES O.OCC1OC(OCC(O)C(O)C(O)C(O)C=O)C(O)C(O)C1O
Synonym d +-melibiose monohydrate,d-+-melibiose hydrate,585-99-9 anhydrous,melibiose hplc,6-,a-d-galactopyranosyl-d-glucopyranose,6-o-a-d-galactopyranosyl-d-glucopyranose hydrate,6-o-a-d-galactopyranosyl-d-glucose monohydrate,6-o-a-d-galactopyranosyl-d-glucopyranose monohydrate,6-o-alpha-d-galactopyranosyl-d-glucose monohydrate,d-glucose, 6-o-a-d-galactopyranosyl-, monohydrate 9ci
IUPAC Name 2,3,4,5-tetrahydroxy-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate
InChI Key CHIDEFLSUMQFBY-UHFFFAOYNA-N
Molecular Formula C12H24O12
7

L-(-)-Sorbose 98.0+%, TCI America™

CAS: 87-79-6 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD00151097 InChI Key: BJHIKXHVCXFQLS-OTWZMJIISA-N Synonym: l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose PubChem CID: 6904 ChEBI: CHEBI:13172 IUPAC Name: (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

PubChem CID 6904
CAS 87-79-6
Molecular Weight (g/mol) 180.156
ChEBI CHEBI:13172
MDL Number MFCD00151097
SMILES C(C(C(C(C(=O)CO)O)O)O)O
Synonym l---sorbose,3s,4r,5s-1,3,4,5,6-pentahydroxyhexan-2-one,sorbinose,keto-l-sorbose,esorben,sorbin,l--sorbose,hsdb 780,l-sorbinose,l-xylo-2-hexulose
IUPAC Name (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key BJHIKXHVCXFQLS-OTWZMJIISA-N
Molecular Formula C6H12O6
8

2-Deoxy-D-ribose 98.0+%, TCI America™

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: (4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol SMILES: OC[C@H]1OC(O)C[C@@H]1O

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 (4S,5R)-5-(hydroxymethyl)oxolane-2,4-diol
InChI Key PDWIQYODPROSQH-GLULIZFNNA-N
Molecular Formula C5H10O4
9

D-(+)-Maltose Monohydrate 98.0+%, TCI America™

CAS: 6363-53-7 Molecular Formula: C12H24O12 Molecular Weight (g/mol): 360.31 MDL Number: MFCD00149343 InChI Key: HBDJFVFTHLOSDW-UHFFFAOYNA-N Synonym: d-+-maltose monohydrate,unii-dm477ee40d,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2r,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra IUPAC Name: 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate SMILES: O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O

CAS 6363-53-7
Molecular Weight (g/mol) 360.31
MDL Number MFCD00149343
SMILES O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O
Synonym d-+-maltose monohydrate,unii-dm477ee40d,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2r,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra
IUPAC Name 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate
InChI Key HBDJFVFTHLOSDW-UHFFFAOYNA-N
Molecular Formula C12H24O12
10

L-Kynurenine Hydrate 98.0+%, TCI America™

CAS: 2922-83-0 Molecular Formula: C10H12N2O3 Molecular Weight (g/mol): 208.22 MDL Number: MFCD00069912 InChI Key: YGPSJZOEDVAXAB-QMMMGPOBSA-N Synonym: l-kynurenine,s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,kynurenine, l,3-anthraniloyl-l-alanine,unii-02jw4j5r44,ccris 4425,2s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,quinurenine,kynurenin,s-alpha,2-diamino-gamma-oxobenzenebutanoic acid PubChem CID: 161166 ChEBI: CHEBI:16946 IUPAC Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid SMILES: N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O

PubChem CID 161166
CAS 2922-83-0
Molecular Weight (g/mol) 208.22
ChEBI CHEBI:16946
MDL Number MFCD00069912
SMILES N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O
Synonym l-kynurenine,s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,kynurenine, l,3-anthraniloyl-l-alanine,unii-02jw4j5r44,ccris 4425,2s-2-amino-4-2-aminophenyl-4-oxobutanoic acid,quinurenine,kynurenin,s-alpha,2-diamino-gamma-oxobenzenebutanoic acid
IUPAC Name (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid
InChI Key YGPSJZOEDVAXAB-QMMMGPOBSA-N
Molecular Formula C10H12N2O3
11

3-(Dimethylamino)propiophenone Hydrochloride 98.0+%, TCI America™

CAS: 879-72-1 Molecular Formula: C11H16ClNO Molecular Weight (g/mol): 213.705 MDL Number: MFCD00012481 InChI Key: DKNDBIIKSJWQFL-UHFFFAOYSA-N Synonym: 3-dimethylaminopropiophenone hydrochloride,3-dimethylamino-1-phenylpropan-1-one hydrochloride,3-dimethylamino propiophenone hydrochloride,beta-dimethylaminopropiophenone hydrochloride,1-propanone, 3-dimethylamino-1-phenyl-, hydrochloride,nsc 89,dimethylaminoethylphenylketone hydrochloride,propiophenone, 3-dimethylamino-, hydrochloride,1-propanone, 3-dimethylamino-1-phenyl-, hydrochloride 1:1,wln: 1n1&2vr &gh PubChem CID: 92844 IUPAC Name: 3-(dimethylamino)-1-phenylpropan-1-one;hydrochloride SMILES: CN(C)CCC(=O)C1=CC=CC=C1.Cl

PubChem CID 92844
CAS 879-72-1
Molecular Weight (g/mol) 213.705
MDL Number MFCD00012481
SMILES CN(C)CCC(=O)C1=CC=CC=C1.Cl
Synonym 3-dimethylaminopropiophenone hydrochloride,3-dimethylamino-1-phenylpropan-1-one hydrochloride,3-dimethylamino propiophenone hydrochloride,beta-dimethylaminopropiophenone hydrochloride,1-propanone, 3-dimethylamino-1-phenyl-, hydrochloride,nsc 89,dimethylaminoethylphenylketone hydrochloride,propiophenone, 3-dimethylamino-, hydrochloride,1-propanone, 3-dimethylamino-1-phenyl-, hydrochloride 1:1,wln: 1n1&2vr &gh
IUPAC Name 3-(dimethylamino)-1-phenylpropan-1-one;hydrochloride
InChI Key DKNDBIIKSJWQFL-UHFFFAOYSA-N
Molecular Formula C11H16ClNO
12

3-Ethoxy-4-hydroxybenzaldehyde 98.0+%, TCI America™

CAS: 121-32-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00006944 InChI Key: CBOQJANXLMLOSS-UHFFFAOYSA-N Synonym: ethyl vanillin,ethylvanillin,bourbonal,ethylprotal,ethavan,ethovan,vanirom,vanilal,quantrovanil,vanillal PubChem CID: 8467 ChEBI: CHEBI:48408 IUPAC Name: 3-ethoxy-4-hydroxybenzaldehyde SMILES: CCOC1=CC(C=O)=CC=C1O

PubChem CID 8467
CAS 121-32-4
Molecular Weight (g/mol) 166.18
ChEBI CHEBI:48408
MDL Number MFCD00006944
SMILES CCOC1=CC(C=O)=CC=C1O
Synonym ethyl vanillin,ethylvanillin,bourbonal,ethylprotal,ethavan,ethovan,vanirom,vanilal,quantrovanil,vanillal
IUPAC Name 3-ethoxy-4-hydroxybenzaldehyde
InChI Key CBOQJANXLMLOSS-UHFFFAOYSA-N
Molecular Formula C9H10O3
13

4-Bromophenacyl Bromide 99.0+%, TCI America™

CAS: 99-73-0 Molecular Formula: C8H6Br2O Molecular Weight (g/mol): 277.943 MDL Number: MFCD00000200 InChI Key: FKJSFKCZZIXQIP-UHFFFAOYSA-N Synonym: 2,4'-dibromoacetophenone,2-bromo-1-4-bromophenyl ethanone,4-bromophenacyl bromide,p-bromophenacyl bromide,ethanone, 2-bromo-1-4-bromophenyl,4'-bromophenacyl bromide,p-bromophenacyl-8,alpha,p-dibromoacetophenone,alpha,4-dibromoacetophenone,4-bromo bromoacetyl benzene PubChem CID: 7454 IUPAC Name: 2-bromo-1-(4-bromophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)Br

PubChem CID 7454
CAS 99-73-0
Molecular Weight (g/mol) 277.943
MDL Number MFCD00000200
SMILES C1=CC(=CC=C1C(=O)CBr)Br
Synonym 2,4'-dibromoacetophenone,2-bromo-1-4-bromophenyl ethanone,4-bromophenacyl bromide,p-bromophenacyl bromide,ethanone, 2-bromo-1-4-bromophenyl,4'-bromophenacyl bromide,p-bromophenacyl-8,alpha,p-dibromoacetophenone,alpha,4-dibromoacetophenone,4-bromo bromoacetyl benzene
IUPAC Name 2-bromo-1-(4-bromophenyl)ethanone
InChI Key FKJSFKCZZIXQIP-UHFFFAOYSA-N
Molecular Formula C8H6Br2O
14

L-(+)-Fructose 95.0+%, TCI America™

CAS: 7776-48-9 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD05662378 InChI Key: BJHIKXHVCXFQLS-FUTKDDECSA-N PubChem CID: 5460024 ChEBI: CHEBI:37724 IUPAC Name: (3R,4S,5S)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O

PubChem CID 5460024
CAS 7776-48-9
Molecular Weight (g/mol) 180.156
ChEBI CHEBI:37724
MDL Number MFCD05662378
SMILES C(C(C(C(C(=O)CO)O)O)O)O
IUPAC Name (3R,4S,5S)-1,3,4,5,6-pentahydroxyhexan-2-one
InChI Key BJHIKXHVCXFQLS-FUTKDDECSA-N
Molecular Formula C6H12O6
15

1-(Methylamino)anthraquinone 98.0+%, TCI America™

CAS: 82-38-2 Molecular Formula: C15H11NO2 Molecular Weight (g/mol): 237.258 MDL Number: MFCD00001197 InChI Key: SVTDYSXXLJYUTM-UHFFFAOYSA-N PubChem CID: 6706 IUPAC Name: 1-(methylamino)anthracene-9,10-dione SMILES: CNC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O

PubChem CID 6706
CAS 82-38-2
Molecular Weight (g/mol) 237.258
MDL Number MFCD00001197
SMILES CNC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O
IUPAC Name 1-(methylamino)anthracene-9,10-dione
InChI Key SVTDYSXXLJYUTM-UHFFFAOYSA-N
Molecular Formula C15H11NO2