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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 (67)
Alpha beta-unsaturated carbonyl compounds (19)
Complex Aldehydes (15)
Dicarbonyl Compounds (3)
Acyloins (1)

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Keyword Search:
1 – 15 of 55 results
1

beta-Ionone, 96%, synthetic

CAS: 14901-07-6 Molecular Formula: C13H20O Molecular Weight (g/mol): 192.30 MDL Number: MFCD00001549 InChI Key: PSQYTAPXSHCGMF-BQYQJAHWSA-N Synonym: beta-ionone,trans-beta-ionone,e-beta-ionone,4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,.beta.-ionone,3e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,4-2,6,6-trimethyl-1-cyclohexenyl-3-buten-2-one,unii-a7nrr1hlh6,e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,beta-e-ionone PubChem CID: 638014 ChEBI: CHEBI:32325 IUPAC Name: (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one SMILES: CC(=O)\C=C\C1=C(C)CCCC1(C)C

PubChem CID 638014
CAS 14901-07-6
Molecular Weight (g/mol) 192.30
ChEBI CHEBI:32325
MDL Number MFCD00001549
SMILES CC(=O)\C=C\C1=C(C)CCCC1(C)C
Synonym beta-ionone,trans-beta-ionone,e-beta-ionone,4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,.beta.-ionone,3e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,4-2,6,6-trimethyl-1-cyclohexenyl-3-buten-2-one,unii-a7nrr1hlh6,e-4-2,6,6-trimethylcyclohex-1-en-1-yl but-3-en-2-one,beta-e-ionone
IUPAC Name (E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
InChI Key PSQYTAPXSHCGMF-BQYQJAHWSA-N
Molecular Formula C13H20O
2

Undecanal, 97%

CAS: 112-44-7 Molecular Formula: C11H22O Molecular Weight (g/mol): 170.296 MDL Number: MFCD00007016 InChI Key: KMPQYAYAQWNLME-UHFFFAOYSA-N Synonym: undecanaldehyde,n-undecanal,undecyl aldehyde,undecylic aldehyde,1-undecanal,undecylaldehyde,hendecanal,hendecanaldehyde,aldehyde c-11,n-undecyl aldehyde PubChem CID: 8186 ChEBI: CHEBI:46202 IUPAC Name: undecanal SMILES: CCCCCCCCCCC=O

EDGE
PubChem CID 8186
CAS 112-44-7
Molecular Weight (g/mol) 170.296
ChEBI CHEBI:46202
MDL Number MFCD00007016
SMILES CCCCCCCCCCC=O
Synonym undecanaldehyde,n-undecanal,undecyl aldehyde,undecylic aldehyde,1-undecanal,undecylaldehyde,hendecanal,hendecanaldehyde,aldehyde c-11,n-undecyl aldehyde
IUPAC Name undecanal
InChI Key KMPQYAYAQWNLME-UHFFFAOYSA-N
Molecular Formula C11H22O
3

2,6-Dichloroindophenol sodium salt hydrate

CAS: 1266615-56-8 Molecular Formula: C12H6Cl2NNaO2 Molecular Weight (g/mol): 290.07 MDL Number: MFCD00150014 InChI Key: FHLDWQLHDYCXKI-UHFFFAOYSA-M Synonym: 2,6-dichloroindophenol sodium salt,2,6-dichlorophenolindophenol sodium salt,tillman's reagent,tillman's reagenz,dichlorphenol-indophenolnatrium,2,6-dichloroindophenol sodium,unii-kad7q8xo1y,sodium 2,6-dichloroindophenol,sodium 2,6-dichloroindophenolate,2,6-dichloroindophenol, sodium salt PubChem CID: 23697355 ChEBI: CHEBI:948 IUPAC Name: sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate SMILES: [Na+].[O-]C1=C(Cl)C=C(C=C1Cl)N=C1C=CC(=O)C=C1

PubChem CID 23697355
CAS 1266615-56-8
Molecular Weight (g/mol) 290.07
ChEBI CHEBI:948
MDL Number MFCD00150014
SMILES [Na+].[O-]C1=C(Cl)C=C(C=C1Cl)N=C1C=CC(=O)C=C1
Synonym 2,6-dichloroindophenol sodium salt,2,6-dichlorophenolindophenol sodium salt,tillman's reagent,tillman's reagenz,dichlorphenol-indophenolnatrium,2,6-dichloroindophenol sodium,unii-kad7q8xo1y,sodium 2,6-dichloroindophenol,sodium 2,6-dichloroindophenolate,2,6-dichloroindophenol, sodium salt
IUPAC Name sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate
InChI Key FHLDWQLHDYCXKI-UHFFFAOYSA-M
Molecular Formula C12H6Cl2NNaO2
4

Hexachloroacetone, 99%

CAS: 116-16-5 Molecular Formula: C3Cl6O Molecular Weight (g/mol): 264.73 MDL Number: MFCD00000796 InChI Key: DOJXGHGHTWFZHK-UHFFFAOYSA-N Synonym: hexachloroacetone,hexachloro-2-propanone,perchloroacetone,hexachloropropanone,kureha hca,hca weedkiller,perchloro-2-propanone,bis trichloromethyl ketone,acetone, hexachloro,2-propanone, hexachloro PubChem CID: 8303 ChEBI: CHEBI:82243 IUPAC Name: 1,1,1,3,3,3-hexachloropropan-2-one SMILES: ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl

PubChem CID 8303
CAS 116-16-5
Molecular Weight (g/mol) 264.73
ChEBI CHEBI:82243
MDL Number MFCD00000796
SMILES ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl
Synonym hexachloroacetone,hexachloro-2-propanone,perchloroacetone,hexachloropropanone,kureha hca,hca weedkiller,perchloro-2-propanone,bis trichloromethyl ketone,acetone, hexachloro,2-propanone, hexachloro
IUPAC Name 1,1,1,3,3,3-hexachloropropan-2-one
InChI Key DOJXGHGHTWFZHK-UHFFFAOYSA-N
Molecular Formula C3Cl6O
5

Ethyl 2-ethylacetoacetate, 95%

CAS: 607-97-6 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00039898 InChI Key: OKANYBNORCUPKZ-UHFFFAOYSA-N Synonym: ethyl 2-ethylacetoacetate,ethyl 2-acetylbutyrate,butanoic acid, 2-ethyl-3-oxo-, ethyl ester,2-ethylacetoacetic acid ethyl ester,ethyl 2-ethyl-3-ketobutyrate,ethyl alpha-ethylacetoacetate,ethyl-2-ethylacetoacetate,2-ethyl-3-oxo-butyric acid ethyl ester,ethyl .alpha.-acetylbutyrate,ethyl 2-ethyl-3-oxo-butanoate PubChem CID: 79065 IUPAC Name: ethyl 2-ethyl-3-oxobutanoate SMILES: CCC(C(=O)C)C(=O)OCC

PubChem CID 79065
CAS 607-97-6
Molecular Weight (g/mol) 158.197
MDL Number MFCD00039898
SMILES CCC(C(=O)C)C(=O)OCC
Synonym ethyl 2-ethylacetoacetate,ethyl 2-acetylbutyrate,butanoic acid, 2-ethyl-3-oxo-, ethyl ester,2-ethylacetoacetic acid ethyl ester,ethyl 2-ethyl-3-ketobutyrate,ethyl alpha-ethylacetoacetate,ethyl-2-ethylacetoacetate,2-ethyl-3-oxo-butyric acid ethyl ester,ethyl .alpha.-acetylbutyrate,ethyl 2-ethyl-3-oxo-butanoate
IUPAC Name ethyl 2-ethyl-3-oxobutanoate
InChI Key OKANYBNORCUPKZ-UHFFFAOYSA-N
Molecular Formula C8H14O3
6

2,5-Dimethyl-3-hexyne-2,5-diol, (+/-) + meso, 98%

CAS: 142-30-3 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00004468 InChI Key: IHJUECRFYCQBMW-UHFFFAOYSA-N Synonym: 2,5-dimethyl-3-hexyne-2,5-diol,dimethylhexynediol,kemitracin-50,tetramethylbutynediol,acetylenepinacol,3-hexyne-2,5-diol, 2,5-dimethyl,olfine y,tetramethyl-2-butynediol,unii-22rr53u71w,2,5-dimethylhexyne-2,5-diol PubChem CID: 8883 IUPAC Name: 2,5-dimethylhex-3-yne-2,5-diol SMILES: CC(C)(C#CC(C)(C)O)O

PubChem CID 8883
CAS 142-30-3
Molecular Weight (g/mol) 142.198
MDL Number MFCD00004468
SMILES CC(C)(C#CC(C)(C)O)O
Synonym 2,5-dimethyl-3-hexyne-2,5-diol,dimethylhexynediol,kemitracin-50,tetramethylbutynediol,acetylenepinacol,3-hexyne-2,5-diol, 2,5-dimethyl,olfine y,tetramethyl-2-butynediol,unii-22rr53u71w,2,5-dimethylhexyne-2,5-diol
IUPAC Name 2,5-dimethylhex-3-yne-2,5-diol
InChI Key IHJUECRFYCQBMW-UHFFFAOYSA-N
Molecular Formula C8H14O2
7

3-Acetyl-2,5-dimethylthiophene, 99%

CAS: 2530-10-1 MDL Number: MFCD00009763

CAS 2530-10-1
MDL Number MFCD00009763
8

Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)nickel(II), 98%

CAS: 14481-08-4 Molecular Formula: C22H38NiO4 Molecular Weight (g/mol): 425.24 MDL Number: MFCD00192348 InChI Key: FPQQRRXEOLXSCJ-UHFFFAOYSA-N Synonym: bis 2,2,6,6-tetramethyl-3,5-heptanedionate nickel ii,bis 2,2,6,6-tetramethyl-3,5-heptanedionato nickel ii , min-ni ni tmhd 2 PubChem CID: 131675868 IUPAC Name: (E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;nickel SMILES: [Ni++].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C

PubChem CID 131675868
CAS 14481-08-4
Molecular Weight (g/mol) 425.24
MDL Number MFCD00192348
SMILES [Ni++].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C
Synonym bis 2,2,6,6-tetramethyl-3,5-heptanedionate nickel ii,bis 2,2,6,6-tetramethyl-3,5-heptanedionato nickel ii , min-ni ni tmhd 2
IUPAC Name (E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;nickel
InChI Key FPQQRRXEOLXSCJ-UHFFFAOYSA-N
Molecular Formula C22H38NiO4
9

Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)gadolinium(III)

CAS: 14768-15-1 Molecular Formula: C33H57GdO6 Molecular Weight (g/mol): 707.06 MDL Number: MFCD00010349 InChI Key: UIVVGOMXFUOLAN-UHFFFAOYSA-N Synonym: tris 2,2,6,6-tetramethyl-3,5-heptanedionate gadolinium PubChem CID: 132984032 IUPAC Name: gadolinium;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one SMILES: [Gd+3].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C

PubChem CID 132984032
CAS 14768-15-1
Molecular Weight (g/mol) 707.06
MDL Number MFCD00010349
SMILES [Gd+3].CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C
Synonym tris 2,2,6,6-tetramethyl-3,5-heptanedionate gadolinium
IUPAC Name gadolinium;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one
InChI Key UIVVGOMXFUOLAN-UHFFFAOYSA-N
Molecular Formula C33H57GdO6
10

4-Bromocrotonic acid benzoylmethyl ester, 97%, Thermo Scientific Chemicals

CAS: 154561-38-3 Molecular Formula: C12H11BrO3 Molecular Weight (g/mol): 283.12 MDL Number: MFCD00236054 InChI Key: JARTYZWEUJDLPS-UHFFFAOYSA-N Synonym: 2-oxo-2-phenylethyl 4-bromobut-2-enoate,acmc-20ajxj,2-butenoic acid,4-bromo-, 2-oxo-2-phenylethyl ester PubChem CID: 53412107 IUPAC Name: phenacyl 4-bromobut-2-enoate SMILES: BrCC=CC(=O)OCC(=O)C1=CC=CC=C1

PubChem CID 53412107
CAS 154561-38-3
Molecular Weight (g/mol) 283.12
MDL Number MFCD00236054
SMILES BrCC=CC(=O)OCC(=O)C1=CC=CC=C1
Synonym 2-oxo-2-phenylethyl 4-bromobut-2-enoate,acmc-20ajxj,2-butenoic acid,4-bromo-, 2-oxo-2-phenylethyl ester
IUPAC Name phenacyl 4-bromobut-2-enoate
InChI Key JARTYZWEUJDLPS-UHFFFAOYSA-N
Molecular Formula C12H11BrO3
11

4-Acetylbiphenyl, 98%

CAS: 92-91-1 Molecular Formula: C14H12O Molecular Weight (g/mol): 196.249 MDL Number: MFCD00008749 InChI Key: QCZZSANNLWPGEA-UHFFFAOYSA-N Synonym: 4-acetylbiphenyl,4'-phenylacetophenone,4-phenylacetophenone,4-biphenylyl methyl ketone,p-phenylacetophenone,p-acetylbiphenyl,1-1,1'-biphenyl-4-yl ethanone,acetophenone, 4'-phenyl,1-4-phenylphenyl ethanone,ketone, 4-biphenylyl methyl PubChem CID: 7113 IUPAC Name: 1-(4-phenylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

PubChem CID 7113
CAS 92-91-1
Molecular Weight (g/mol) 196.249
MDL Number MFCD00008749
SMILES CC(=O)C1=CC=C(C=C1)C2=CC=CC=C2
Synonym 4-acetylbiphenyl,4'-phenylacetophenone,4-phenylacetophenone,4-biphenylyl methyl ketone,p-phenylacetophenone,p-acetylbiphenyl,1-1,1'-biphenyl-4-yl ethanone,acetophenone, 4'-phenyl,1-4-phenylphenyl ethanone,ketone, 4-biphenylyl methyl
IUPAC Name 1-(4-phenylphenyl)ethanone
InChI Key QCZZSANNLWPGEA-UHFFFAOYSA-N
Molecular Formula C14H12O
12

3-Benzoylpropionic acid, 98+%

CAS: 2051-95-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00002792 InChI Key: KMQLIDDEQAJAGJ-UHFFFAOYSA-N Synonym: 3-benzoylpropionic acid,4-oxo-4-phenylbutyric acid,3-benzoylpropanoic acid,beta-benzoylpropionic acid,benzoylpropionic acid,propanoic acid, 3-benzoyl,benzenebutanoic acid, .gamma.-oxo,3-benzoylpropionicacid,propionic acid, 3-benzoyl,4-phenyl-4-oxobutyric acid PubChem CID: 72871 ChEBI: CHEBI:64437 IUPAC Name: 4-oxo-4-phenylbutanoic acid SMILES: OC(=O)CCC(=O)C1=CC=CC=C1

PubChem CID 72871
CAS 2051-95-8
Molecular Weight (g/mol) 178.19
ChEBI CHEBI:64437
MDL Number MFCD00002792
SMILES OC(=O)CCC(=O)C1=CC=CC=C1
Synonym 3-benzoylpropionic acid,4-oxo-4-phenylbutyric acid,3-benzoylpropanoic acid,beta-benzoylpropionic acid,benzoylpropionic acid,propanoic acid, 3-benzoyl,benzenebutanoic acid, .gamma.-oxo,3-benzoylpropionicacid,propionic acid, 3-benzoyl,4-phenyl-4-oxobutyric acid
IUPAC Name 4-oxo-4-phenylbutanoic acid
InChI Key KMQLIDDEQAJAGJ-UHFFFAOYSA-N
Molecular Formula C10H10O3
13

3,5-Dibromo-4-hydroxybenzaldehyde, 97%

CAS: 2973-77-5 Molecular Formula: C7H4Br2O2 Molecular Weight (g/mol): 279.92 MDL Number: MFCD00016980 InChI Key: SXRHGLQCOLNZPT-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-dibromo-4-hydroxy,timtec-bb sbb006529,acmc-1cr6c,3,5-dibromo-4-hydroxy benzaldehyde,3,5-dibromo-4-hydroxy-benzaldehyde,4-hydroxy-3,5-dibromo benzaldehyde,3,5-dibromo-4-hydroxybenzaldehyde,3,5-bis bromanyl-4-oxidanyl-benzaldehyde PubChem CID: 18100 IUPAC Name: 3,5-dibromo-4-hydroxybenzaldehyde SMILES: OC1=C(Br)C=C(C=O)C=C1Br

PubChem CID 18100
CAS 2973-77-5
Molecular Weight (g/mol) 279.92
MDL Number MFCD00016980
SMILES OC1=C(Br)C=C(C=O)C=C1Br
Synonym benzaldehyde, 3,5-dibromo-4-hydroxy,timtec-bb sbb006529,acmc-1cr6c,3,5-dibromo-4-hydroxy benzaldehyde,3,5-dibromo-4-hydroxy-benzaldehyde,4-hydroxy-3,5-dibromo benzaldehyde,3,5-dibromo-4-hydroxybenzaldehyde,3,5-bis bromanyl-4-oxidanyl-benzaldehyde
IUPAC Name 3,5-dibromo-4-hydroxybenzaldehyde
InChI Key SXRHGLQCOLNZPT-UHFFFAOYSA-N
Molecular Formula C7H4Br2O2
14

Zirconium(IV) 2,4-pentanedionate, Thermo Scientific Chemicals

CAS: 17501-44-9 Molecular Formula: C20H28O8Zr Molecular Weight (g/mol): 487.66 MDL Number: MFCD00000036 InChI Key: DFPGFWYWSAYLCW-UHFFFAOYSA-N Synonym: 4-hydroxypent-3-en-2-one; zirconium PubChem CID: 50912253 IUPAC Name: 4-hydroxypent-3-en-2-one;zirconium SMILES: [Zr+4].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O

PubChem CID 50912253
CAS 17501-44-9
Molecular Weight (g/mol) 487.66
MDL Number MFCD00000036
SMILES [Zr+4].CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O.CC(=O)[CH-]C(C)=O
Synonym 4-hydroxypent-3-en-2-one; zirconium
IUPAC Name 4-hydroxypent-3-en-2-one;zirconium
InChI Key DFPGFWYWSAYLCW-UHFFFAOYSA-N
Molecular Formula C20H28O8Zr
15

2-Acetylpyrazine, 99%

CAS: 22047-25-2 Molecular Formula: C6H6N2O Molecular Weight (g/mol): 122.127 MDL Number: MFCD00006134 InChI Key: DBZAKQWXICEWNW-UHFFFAOYSA-N Synonym: acetylpyrazine,2-acetylpyrazine,ethanone, 1-pyrazinyl,1-pyrazin-2-yl ethan-1-one,methyl pyrazinyl ketone,2-acetyl pyrazine,ketone, methyl pyrazinyl,1-pyrazinylethanone,1-pyrazin-2-yl-ethanone,1-pyrazin-2-yl ethanone PubChem CID: 30914 IUPAC Name: 1-pyrazin-2-ylethanone SMILES: CC(=O)C1=NC=CN=C1

PubChem CID 30914
CAS 22047-25-2
Molecular Weight (g/mol) 122.127
MDL Number MFCD00006134
SMILES CC(=O)C1=NC=CN=C1
Synonym acetylpyrazine,2-acetylpyrazine,ethanone, 1-pyrazinyl,1-pyrazin-2-yl ethan-1-one,methyl pyrazinyl ketone,2-acetyl pyrazine,ketone, methyl pyrazinyl,1-pyrazinylethanone,1-pyrazin-2-yl-ethanone,1-pyrazin-2-yl ethanone
IUPAC Name 1-pyrazin-2-ylethanone
InChI Key DBZAKQWXICEWNW-UHFFFAOYSA-N
Molecular Formula C6H6N2O