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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.
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Alpha beta-unsaturated carbonyl compounds (322)
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D-(+)-Maltose Monohydrate, Fisher BioReagents

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
2

2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-carbaldehyde, 97%, Thermo Scientific™

CAS: 38002-88-9 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.22 MDL Number: MFCD04115387 InChI Key: HGKYVFOYQUSRQN-UHFFFAOYSA-N Synonym: 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carbaldehyde,2,2-dimethyl-2,3-dihydrobenzofuran-7-carbaldehyde,7-benzofurancarboxaldehyde, 2,3-dihydro-2,2-dimethyl,2,2-dimethyl-7-formyl-2,3-dihydrobenzofuran,2,2-dimethyl-2,3-dihydro-benzofuran-7-carbaldehyde,2,3-dihydro-2,2-dimethylbenzofuran-7-carbaldehyde,2,2-dimethyl-2,3-dihydrobenzo b furan-7-carbaldehyde,2,3-dihydro-2,2-dimethylbenzofuran-7-carboxaldehyde,2,2-dimethyl-2,3-dihydro-1-benzo b furan-7-carbaldehyde PubChem CID: 2795471 SMILES: CC1(C)CC2=CC=CC(C=O)=C2O1

PubChem CID 2795471
CAS 38002-88-9
Molecular Weight (g/mol) 176.22
MDL Number MFCD04115387
SMILES CC1(C)CC2=CC=CC(C=O)=C2O1
Synonym 2,2-dimethyl-2,3-dihydro-1-benzofuran-7-carbaldehyde,2,2-dimethyl-2,3-dihydrobenzofuran-7-carbaldehyde,7-benzofurancarboxaldehyde, 2,3-dihydro-2,2-dimethyl,2,2-dimethyl-7-formyl-2,3-dihydrobenzofuran,2,2-dimethyl-2,3-dihydro-benzofuran-7-carbaldehyde,2,3-dihydro-2,2-dimethylbenzofuran-7-carbaldehyde,2,2-dimethyl-2,3-dihydrobenzo b furan-7-carbaldehyde,2,3-dihydro-2,2-dimethylbenzofuran-7-carboxaldehyde,2,2-dimethyl-2,3-dihydro-1-benzo b furan-7-carbaldehyde
InChI Key HGKYVFOYQUSRQN-UHFFFAOYSA-N
Molecular Formula C11H12O2
3

3-Hydroxy-3-methyl-2-butanone, 90+%

CAS: 115-22-0 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00004460 InChI Key: BNDRWEVUODOUDW-UHFFFAOYSA-N Synonym: 3-hydroxy-3-methyl-2-butanone,3-methylacetoin,methylacetoin,2-butanone, 3-hydroxy-3-methyl,dimethylacetylcarbinol,2-hydroxy-2-methyl-3-butanone,2-methyl-2-hydroxybutan-3-one,1-hydroxy-1-methylethyl methyl ketone,3-hydroxy-3-methyl-butan-2-one,3-hydroxy-3-ethylbutanone PubChem CID: 8261 IUPAC Name: 3-hydroxy-3-methylbutan-2-one SMILES: CC(=O)C(C)(C)O

PubChem CID 8261
CAS 115-22-0
Molecular Weight (g/mol) 102.133
MDL Number MFCD00004460
SMILES CC(=O)C(C)(C)O
Synonym 3-hydroxy-3-methyl-2-butanone,3-methylacetoin,methylacetoin,2-butanone, 3-hydroxy-3-methyl,dimethylacetylcarbinol,2-hydroxy-2-methyl-3-butanone,2-methyl-2-hydroxybutan-3-one,1-hydroxy-1-methylethyl methyl ketone,3-hydroxy-3-methyl-butan-2-one,3-hydroxy-3-ethylbutanone
IUPAC Name 3-hydroxy-3-methylbutan-2-one
InChI Key BNDRWEVUODOUDW-UHFFFAOYSA-N
Molecular Formula C5H10O2
4

3-Hydroxy-2-butanone, monomer + dimer, 95%

CAS: 513-86-0 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00004521,MFCD00038696 InChI Key: ROWKJAVDOGWPAT-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: CC(O)C(C)=O

PubChem CID 179
CAS 513-86-0
Molecular Weight (g/mol) 88.11
ChEBI CHEBI:15688
MDL Number MFCD00004521,MFCD00038696
SMILES CC(O)C(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 ROWKJAVDOGWPAT-UHFFFAOYNA-N
Molecular Formula C4H8O2
5

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
6

3-Hydroxy-3-methyl-2-butanone, 92%

CAS: 115-22-0 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00004460 InChI Key: BNDRWEVUODOUDW-UHFFFAOYSA-N Synonym: 3-hydroxy-3-methyl-2-butanone,3-methylacetoin,methylacetoin,2-butanone, 3-hydroxy-3-methyl,dimethylacetylcarbinol,2-hydroxy-2-methyl-3-butanone,2-methyl-2-hydroxybutan-3-one,1-hydroxy-1-methylethyl methyl ketone,3-hydroxy-3-methyl-butan-2-one,3-hydroxy-3-ethylbutanone PubChem CID: 8261 IUPAC Name: 3-hydroxy-3-methylbutan-2-one SMILES: CC(=O)C(C)(C)O

PubChem CID 8261
CAS 115-22-0
Molecular Weight (g/mol) 102.13
MDL Number MFCD00004460
SMILES CC(=O)C(C)(C)O
Synonym 3-hydroxy-3-methyl-2-butanone,3-methylacetoin,methylacetoin,2-butanone, 3-hydroxy-3-methyl,dimethylacetylcarbinol,2-hydroxy-2-methyl-3-butanone,2-methyl-2-hydroxybutan-3-one,1-hydroxy-1-methylethyl methyl ketone,3-hydroxy-3-methyl-butan-2-one,3-hydroxy-3-ethylbutanone
IUPAC Name 3-hydroxy-3-methylbutan-2-one
InChI Key BNDRWEVUODOUDW-UHFFFAOYSA-N
Molecular Formula C5H10O2
7

Hydrindantin dihydrate, 96%

CAS: 5950-69-6 Molecular Formula: C18H14O8 Molecular Weight (g/mol): 358.29 MDL Number: MFCD00149242 InChI Key: QHVADKNWNMILPQ-HOTGVXAUSA-N Synonym: 2s-2,3,3-trihydroxy-2-2s-1,1,2-trihydroxy-3-oxoinden-2-yl inden-1-one PubChem CID: 6560392 IUPAC Name: (2S)-2,3,3-trihydroxy-2-[(2S)-1,1,2-trihydroxy-3-oxoinden-2-yl]inden-1-one SMILES: C1=CC=C2C(=C1)C(=O)C(C2(O)O)(C3(C(=O)C4=CC=CC=C4C3(O)O)O)O

PubChem CID 6560392
CAS 5950-69-6
Molecular Weight (g/mol) 358.29
MDL Number MFCD00149242
SMILES C1=CC=C2C(=C1)C(=O)C(C2(O)O)(C3(C(=O)C4=CC=CC=C4C3(O)O)O)O
Synonym 2s-2,3,3-trihydroxy-2-2s-1,1,2-trihydroxy-3-oxoinden-2-yl inden-1-one
IUPAC Name (2S)-2,3,3-trihydroxy-2-[(2S)-1,1,2-trihydroxy-3-oxoinden-2-yl]inden-1-one
InChI Key QHVADKNWNMILPQ-HOTGVXAUSA-N
Molecular Formula C18H14O8
8

Acetoin, 96%, dimer

CAS: 23147-57-1 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

PubChem CID 179
CAS 23147-57-1
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
9

Veratraldehyde, 99%

CAS: 120-14-9 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00003363 InChI Key: WJUFSDZVCOTFON-UHFFFAOYSA-N Synonym: veratraldehyde,veratric aldehyde,methylvanillin,vanillin methyl ether,veratral,veratryl aldehyde,benzaldehyde, 3,4-dimethoxy,veratrum aldehyde,p-veratric aldehyde,4-o-methylvanillin PubChem CID: 8419 ChEBI: CHEBI:17098 IUPAC Name: 3,4-dimethoxybenzaldehyde SMILES: COC1=CC=C(C=O)C=C1OC

PubChem CID 8419
CAS 120-14-9
Molecular Weight (g/mol) 166.18
ChEBI CHEBI:17098
MDL Number MFCD00003363
SMILES COC1=CC=C(C=O)C=C1OC
Synonym veratraldehyde,veratric aldehyde,methylvanillin,vanillin methyl ether,veratral,veratryl aldehyde,benzaldehyde, 3,4-dimethoxy,veratrum aldehyde,p-veratric aldehyde,4-o-methylvanillin
IUPAC Name 3,4-dimethoxybenzaldehyde
InChI Key WJUFSDZVCOTFON-UHFFFAOYSA-N
Molecular Formula C9H10O3
10

4-Hydroxy-2-methoxybenzaldehyde, 98%

CAS: 18278-34-7 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00051964 InChI Key: WBIZZNFQJPOKDK-UHFFFAOYSA-N Synonym: 4-hydroxy-o-anisaldehyde,benzaldehyde, 4-hydroxy-2-methoxy,4-hydroxyl-2-methoxyl benzaldehyde,4-formyl-3-methoxyphenol,2-formyl-5-hydroxyanisole,4-hydroxy-2-methoxybenaldehyde,4-hydroxy-2-methoxybenzaldehdye,pubchem8130,acmc-209eju,argogel-mb-cho PubChem CID: 519541 IUPAC Name: 4-hydroxy-2-methoxybenzaldehyde SMILES: COC1=CC(O)=CC=C1C=O

PubChem CID 519541
CAS 18278-34-7
Molecular Weight (g/mol) 152.15
MDL Number MFCD00051964
SMILES COC1=CC(O)=CC=C1C=O
Synonym 4-hydroxy-o-anisaldehyde,benzaldehyde, 4-hydroxy-2-methoxy,4-hydroxyl-2-methoxyl benzaldehyde,4-formyl-3-methoxyphenol,2-formyl-5-hydroxyanisole,4-hydroxy-2-methoxybenaldehyde,4-hydroxy-2-methoxybenzaldehdye,pubchem8130,acmc-209eju,argogel-mb-cho
IUPAC Name 4-hydroxy-2-methoxybenzaldehyde
InChI Key WBIZZNFQJPOKDK-UHFFFAOYSA-N
Molecular Formula C8H8O3
11

2'-Methoxyacetophenone, 99%

CAS: 579-74-8 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00008725 InChI Key: DWPLEOPKBWNPQV-UHFFFAOYSA-N Synonym: 2'-methoxyacetophenone,1-2-methoxyphenyl ethanone,o-methoxyacetophenone,ethanone, 1-2-methoxyphenyl,o-acetylanisole,1-2-methoxyphenyl ethan-1-one,o-acetanisole,2-acetylanisole,2-methyoxyacetophenone oxime,ortho-methoxyacetophenone PubChem CID: 68481 IUPAC Name: 1-(2-methoxyphenyl)ethanone SMILES: COC1=CC=CC=C1C(C)=O

PubChem CID 68481
CAS 579-74-8
Molecular Weight (g/mol) 150.18
MDL Number MFCD00008725
SMILES COC1=CC=CC=C1C(C)=O
Synonym 2'-methoxyacetophenone,1-2-methoxyphenyl ethanone,o-methoxyacetophenone,ethanone, 1-2-methoxyphenyl,o-acetylanisole,1-2-methoxyphenyl ethan-1-one,o-acetanisole,2-acetylanisole,2-methyoxyacetophenone oxime,ortho-methoxyacetophenone
IUPAC Name 1-(2-methoxyphenyl)ethanone
InChI Key DWPLEOPKBWNPQV-UHFFFAOYSA-N
Molecular Formula C9H10O2
12

Octanophenone, 98%

CAS: 1674-37-9 Molecular Formula: C14H20O Molecular Weight (g/mol): 204.31 MDL Number: MFCD00003554 InChI Key: UDEVCZRUNOLVLU-UHFFFAOYSA-N Synonym: octanophenone,heptyl phenyl ketone,1-octanone, 1-phenyl,caprylophenone,n-octanophenone,ketone, heptyl phenyl,4-n-butylbutyrophenone,1-phenyl-octan-1-one,acmc-1axlq PubChem CID: 74291 IUPAC Name: 1-phenyloctan-1-one SMILES: CCCCCCCC(=O)C1=CC=CC=C1

PubChem CID 74291
CAS 1674-37-9
Molecular Weight (g/mol) 204.31
MDL Number MFCD00003554
SMILES CCCCCCCC(=O)C1=CC=CC=C1
Synonym octanophenone,heptyl phenyl ketone,1-octanone, 1-phenyl,caprylophenone,n-octanophenone,ketone, heptyl phenyl,4-n-butylbutyrophenone,1-phenyl-octan-1-one,acmc-1axlq
IUPAC Name 1-phenyloctan-1-one
InChI Key UDEVCZRUNOLVLU-UHFFFAOYSA-N
Molecular Formula C14H20O
13

9,10-Anthraquinone-2-sulfonic acid sodium salt hydrate, 97% (dry wt.), water ca 4-6%

CAS: 153277-35-1 Molecular Formula: C14H7NaO5S Molecular Weight (g/mol): 310.255 MDL Number: MFCD00149068 InChI Key: GGCZERPQGJTIQP-UHFFFAOYSA-M Synonym: sodium anthraquinone-2-sulfonate,anthraquinone-2-sulfonic acid sodium salt,sodium 2-anthraquinonesulfonate,unii-511h72sdvx,sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate,2-anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt,sodium 2-anthrachinonesulphonate,2-anthraquinone sodium sulfonate,2-anthraquinonesulfonic acid sodium salt,sodium-2-anthrachinonesulphonate PubChem CID: 23661981 IUPAC Name: sodium;9,10-dioxoanthracene-2-sulfonate SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+]

PubChem CID 23661981
CAS 153277-35-1
Molecular Weight (g/mol) 310.255
MDL Number MFCD00149068
SMILES C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+]
Synonym sodium anthraquinone-2-sulfonate,anthraquinone-2-sulfonic acid sodium salt,sodium 2-anthraquinonesulfonate,unii-511h72sdvx,sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate,2-anthracenesulfonic acid, 9,10-dihydro-9,10-dioxo-, sodium salt,sodium 2-anthrachinonesulphonate,2-anthraquinone sodium sulfonate,2-anthraquinonesulfonic acid sodium salt,sodium-2-anthrachinonesulphonate
IUPAC Name sodium;9,10-dioxoanthracene-2-sulfonate
InChI Key GGCZERPQGJTIQP-UHFFFAOYSA-M
Molecular Formula C14H7NaO5S
14

2'-Hydroxy-4',5'-dimethylacetophenone, 98%

CAS: 36436-65-4 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00002306 InChI Key: YXVSURZEXVMUAM-UHFFFAOYSA-N PubChem CID: 118976 IUPAC Name: 1-(2-hydroxy-4,5-dimethylphenyl)ethanone SMILES: CC1=C(C=C(C(=C1)C(=O)C)O)C

PubChem CID 118976
CAS 36436-65-4
Molecular Weight (g/mol) 164.204
MDL Number MFCD00002306
SMILES CC1=C(C=C(C(=C1)C(=O)C)O)C
IUPAC Name 1-(2-hydroxy-4,5-dimethylphenyl)ethanone
InChI Key YXVSURZEXVMUAM-UHFFFAOYSA-N
Molecular Formula C10H12O2
15

3'-Chloropropiophenone, 98%

CAS: 34841-35-5 Molecular Formula: C9H9ClO Molecular Weight (g/mol): 168.62 MDL Number: MFCD00009925 InChI Key: PQWGFUFROKIJBO-UHFFFAOYSA-N Synonym: 3'-chloropropiophenone,1-3-chlorophenyl propan-1-one,m-chloropropiophenone,3-chlorophenyl ethyl ketone,1-propanone, 1-3-chlorophenyl,1-3-chloro-phenyl-propan-1-one,m-chloro-propiophenone,pubchem3083,3'-chloro-propiophenone,3/'-chloropropiophenone PubChem CID: 587128 IUPAC Name: 1-(3-chlorophenyl)propan-1-one SMILES: CCC(=O)C1=CC(=CC=C1)Cl

PubChem CID 587128
CAS 34841-35-5
Molecular Weight (g/mol) 168.62
MDL Number MFCD00009925
SMILES CCC(=O)C1=CC(=CC=C1)Cl
Synonym 3'-chloropropiophenone,1-3-chlorophenyl propan-1-one,m-chloropropiophenone,3-chlorophenyl ethyl ketone,1-propanone, 1-3-chlorophenyl,1-3-chloro-phenyl-propan-1-one,m-chloro-propiophenone,pubchem3083,3'-chloro-propiophenone,3/'-chloropropiophenone
IUPAC Name 1-(3-chlorophenyl)propan-1-one
InChI Key PQWGFUFROKIJBO-UHFFFAOYSA-N
Molecular Formula C9H9ClO