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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 (29)
Complex Aldehydes (10)
Dicarbonyl Compounds (8)
Alpha beta-unsaturated carbonyl compounds (5)

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1 – 15 of 31 results
1

Tetrakis(2,4-pentanedionato)titanium(IV) (ca. 63% in Isopropyl Alcohol), TCI America™

CAS: 17501-79-0 Molecular Formula: C20H32O8Ti Molecular Weight (g/mol): 448.335 MDL Number: MFCD00045004 InChI Key: RYSXWUYLAWPLES-MTOQALJVSA-N Synonym: Acetylacetone Titanium(IV) Salt, Titanium(IV) Acetylacetonate PubChem CID: 44629996 IUPAC Name: (Z)-4-hydroxypent-3-en-2-one;titanium SMILES: CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.[Ti]

PubChem CID 44629996
CAS 17501-79-0
Molecular Weight (g/mol) 448.335
MDL Number MFCD00045004
SMILES CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.[Ti]
Synonym Acetylacetone Titanium(IV) Salt, Titanium(IV) Acetylacetonate
IUPAC Name (Z)-4-hydroxypent-3-en-2-one;titanium
InChI Key RYSXWUYLAWPLES-MTOQALJVSA-N
Molecular Formula C20H32O8Ti
2

Isopropyl Acetoacetate 97.0+%, TCI America™

CAS: 542-08-5 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00043933 InChI Key: GVIIRWAJDFKJMJ-UHFFFAOYSA-N Synonym: isopropyl acetoacetate,isopropyl 3-oxobutanoate,acetoacetic acid isopropyl ester,butanoic acid, 3-oxo-, 1-methylethyl ester,unii-38gtb2c6xc,38gtb2c6xc,methylethyl 3-oxobutanoate,acip,isopropyl acetylacetate,isopropyl 3-oxobutyrate PubChem CID: 68329 IUPAC Name: propan-2-yl 3-oxobutanoate SMILES: CC(C)OC(=O)CC(=O)C

PubChem CID 68329
CAS 542-08-5
Molecular Weight (g/mol) 144.17
MDL Number MFCD00043933
SMILES CC(C)OC(=O)CC(=O)C
Synonym isopropyl acetoacetate,isopropyl 3-oxobutanoate,acetoacetic acid isopropyl ester,butanoic acid, 3-oxo-, 1-methylethyl ester,unii-38gtb2c6xc,38gtb2c6xc,methylethyl 3-oxobutanoate,acip,isopropyl acetylacetate,isopropyl 3-oxobutyrate
IUPAC Name propan-2-yl 3-oxobutanoate
InChI Key GVIIRWAJDFKJMJ-UHFFFAOYSA-N
Molecular Formula C7H12O3
3

Diacetone Alcohol 98.0+%, TCI America™

CAS: 123-42-2 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00004471 InChI Key: SWXVUIWOUIDPGS-UHFFFAOYSA-N Synonym: diacetone alcohol,4-hydroxy-4-methyl-2-pentanone,diacetonalkohol,diketone alcohol,diacetonalcohol,tyranton,acetonyldimethylcarbinol,diacetone-alcool,pyranton a,2-methyl-2-pentanol-4-one PubChem CID: 31256 ChEBI: CHEBI:55381 IUPAC Name: 4-hydroxy-4-methylpentan-2-one SMILES: CC(=O)CC(C)(C)O

PubChem CID 31256
CAS 123-42-2
Molecular Weight (g/mol) 116.16
ChEBI CHEBI:55381
MDL Number MFCD00004471
SMILES CC(=O)CC(C)(C)O
Synonym diacetone alcohol,4-hydroxy-4-methyl-2-pentanone,diacetonalkohol,diketone alcohol,diacetonalcohol,tyranton,acetonyldimethylcarbinol,diacetone-alcool,pyranton a,2-methyl-2-pentanol-4-one
IUPAC Name 4-hydroxy-4-methylpentan-2-one
InChI Key SWXVUIWOUIDPGS-UHFFFAOYSA-N
Molecular Formula C6H12O2
4

Sigma Aldrich Isopropyl disulfide

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS
CAS 4253-89-8
5

Sigma Aldrich N-Isopropyl-2-propen-1-amine hydrobromide

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS
6

Sigma Aldrich 2-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-N-methylethanamine hydrochloride

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS
7

Isobutyrophenone 98.0+%, TCI America™

CAS: 611-70-1 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00008917 InChI Key: BSMGLVDZZMBWQB-UHFFFAOYSA-N Synonym: isobutyrophenone,isopropyl phenyl ketone,2-methylpropiophenone,1-propanone, 2-methyl-1-phenyl,phenyl isopropyl ketone,isopropyl phenyl keton,alpha-methylpropiophenone,unii-8l53972ntz,.alpha.-methylpropiophenone,2-methyl-1-phenyl-1-propanone PubChem CID: 69144 IUPAC Name: 2-methyl-1-phenylpropan-1-one SMILES: CC(C)C(=O)C1=CC=CC=C1

PubChem CID 69144
CAS 611-70-1
Molecular Weight (g/mol) 148.21
MDL Number MFCD00008917
SMILES CC(C)C(=O)C1=CC=CC=C1
Synonym isobutyrophenone,isopropyl phenyl ketone,2-methylpropiophenone,1-propanone, 2-methyl-1-phenyl,phenyl isopropyl ketone,isopropyl phenyl keton,alpha-methylpropiophenone,unii-8l53972ntz,.alpha.-methylpropiophenone,2-methyl-1-phenyl-1-propanone
IUPAC Name 2-methyl-1-phenylpropan-1-one
InChI Key BSMGLVDZZMBWQB-UHFFFAOYSA-N
Molecular Formula C10H12O
8

Valeraldehyde, 96%

CAS: 110-62-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00007026 InChI Key: HGBOYTHUEUWSSQ-UHFFFAOYSA-N Synonym: valeraldehyde,n-pentanal,n-valeraldehyde,valeric aldehyde,valeral,valeryl aldehyde,amylaldehyde,butyl formal,amyl aldehyde,valeric acid aldehyde PubChem CID: 8063 ChEBI: CHEBI:84069 IUPAC Name: pentanal SMILES: CCCCC=O

PubChem CID 8063
CAS 110-62-3
Molecular Weight (g/mol) 86.13
ChEBI CHEBI:84069
MDL Number MFCD00007026
SMILES CCCCC=O
Synonym valeraldehyde,n-pentanal,n-valeraldehyde,valeric aldehyde,valeral,valeryl aldehyde,amylaldehyde,butyl formal,amyl aldehyde,valeric acid aldehyde
IUPAC Name pentanal
InChI Key HGBOYTHUEUWSSQ-UHFFFAOYSA-N
Molecular Formula C5H10O
9

Isobutyrophenone, 97%

CAS: 611-70-1 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00008917 InChI Key: BSMGLVDZZMBWQB-UHFFFAOYSA-N Synonym: isobutyrophenone,isopropyl phenyl ketone,2-methylpropiophenone,1-propanone, 2-methyl-1-phenyl,phenyl isopropyl ketone,isopropyl phenyl keton,alpha-methylpropiophenone,unii-8l53972ntz,.alpha.-methylpropiophenone,2-methyl-1-phenyl-1-propanone PubChem CID: 69144 IUPAC Name: 2-methyl-1-phenylpropan-1-one SMILES: CC(C)C(=O)C1=CC=CC=C1

PubChem CID 69144
CAS 611-70-1
Molecular Weight (g/mol) 148.21
MDL Number MFCD00008917
SMILES CC(C)C(=O)C1=CC=CC=C1
Synonym isobutyrophenone,isopropyl phenyl ketone,2-methylpropiophenone,1-propanone, 2-methyl-1-phenyl,phenyl isopropyl ketone,isopropyl phenyl keton,alpha-methylpropiophenone,unii-8l53972ntz,.alpha.-methylpropiophenone,2-methyl-1-phenyl-1-propanone
IUPAC Name 2-methyl-1-phenylpropan-1-one
InChI Key BSMGLVDZZMBWQB-UHFFFAOYSA-N
Molecular Formula C10H12O
10

3-Formyl-6-isopropylchromone 98.0+%, TCI America™

CAS: 49619-58-1 Molecular Formula: C13H12O3 Molecular Weight (g/mol): 216.24 MDL Number: MFCD00192183 InChI Key: FRRYMYQANNFABF-UHFFFAOYSA-N Synonym: 6-Isopropyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde, 6-Isopropylchromone-3-carboxaldehyde PubChem CID: 688711 IUPAC Name: 4-oxo-6-(propan-2-yl)-4H-chromene-3-carbaldehyde SMILES: CC(C)C1=CC=C2OC=C(C=O)C(=O)C2=C1

PubChem CID 688711
CAS 49619-58-1
Molecular Weight (g/mol) 216.24
MDL Number MFCD00192183
SMILES CC(C)C1=CC=C2OC=C(C=O)C(=O)C2=C1
Synonym 6-Isopropyl-4-oxo-4H-1-benzopyran-3-carboxaldehyde, 6-Isopropylchromone-3-carboxaldehyde
IUPAC Name 4-oxo-6-(propan-2-yl)-4H-chromene-3-carbaldehyde
InChI Key FRRYMYQANNFABF-UHFFFAOYSA-N
Molecular Formula C13H12O3
11

2-Hydroxyacetophenone 98.0+%, TCI America™

CAS: 582-24-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00041829 InChI Key: ZWVHTXAYIKBMEE-UHFFFAOYSA-N Synonym: 2-hydroxyacetophenone,benzoylcarbinol,glycolophenone,phenacyl alcohol,alpha-hydroxyacetophenone,2-hydroxy-1-phenylethan-1-one,ethanone, 2-hydroxy-1-phenyl,methanol, benzoyl,omega-hydroxyacetophenone,acetophenone, 2-hydroxy PubChem CID: 68490 ChEBI: CHEBI:28341 IUPAC Name: 2-hydroxy-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)CO

PubChem CID 68490
CAS 582-24-1
Molecular Weight (g/mol) 136.15
ChEBI CHEBI:28341
MDL Number MFCD00041829
SMILES C1=CC=C(C=C1)C(=O)CO
Synonym 2-hydroxyacetophenone,benzoylcarbinol,glycolophenone,phenacyl alcohol,alpha-hydroxyacetophenone,2-hydroxy-1-phenylethan-1-one,ethanone, 2-hydroxy-1-phenyl,methanol, benzoyl,omega-hydroxyacetophenone,acetophenone, 2-hydroxy
IUPAC Name 2-hydroxy-1-phenylethanone
InChI Key ZWVHTXAYIKBMEE-UHFFFAOYSA-N
Molecular Formula C8H8O2
12

Isopropylmalonic acid, 98+%

CAS: 601-79-6 Molecular Formula: C6H10O4 Molecular Weight (g/mol): 146.14 MDL Number: MFCD00021717 InChI Key: DQEUFPARIOFOAI-UHFFFAOYSA-N Synonym: isopropylmalonic acid,2-isopropylmalonic acid,malonic acid, isopropyl,2-isopropylpropanedioic acid,propanedioic acid, 1-methylethyl,.alpha.-carboxyisovaleric acid,2-propan-2-yl propanedioic acid,isopropylmalonsaure,isopropyl malonic acid,iso-propyl malonic acid PubChem CID: 69037 IUPAC Name: 2-propan-2-ylpropanedioic acid SMILES: CC(C)C(C(O)=O)C(O)=O

PubChem CID 69037
CAS 601-79-6
Molecular Weight (g/mol) 146.14
MDL Number MFCD00021717
SMILES CC(C)C(C(O)=O)C(O)=O
Synonym isopropylmalonic acid,2-isopropylmalonic acid,malonic acid, isopropyl,2-isopropylpropanedioic acid,propanedioic acid, 1-methylethyl,.alpha.-carboxyisovaleric acid,2-propan-2-yl propanedioic acid,isopropylmalonsaure,isopropyl malonic acid,iso-propyl malonic acid
IUPAC Name 2-propan-2-ylpropanedioic acid
InChI Key DQEUFPARIOFOAI-UHFFFAOYSA-N
Molecular Formula C6H10O4
13

4'-Fluoroisobutyrophenone, 97%

CAS: 26393-91-9 Molecular Formula: C10H11FO Molecular Weight (g/mol): 166.20 MDL Number: MFCD04038305 InChI Key: MHUVRVXSYXJUPK-UHFFFAOYSA-N Synonym: 1-4-fluorophenyl-2-methylpropan-1-one,4'-fluoroisobutyrophenone,1-4-fluorophenyl-2-methyl-1-propanone,1-4-fluoro-phenyl-2-methyl-propan-1-one,1-propanone, 1-4-fluorophenyl-2-methyl,p-fluoroisobutyrophenone,1-4-fluorophenyl-2-methyl-propan-1-one,acmc-1chy0,isopropyl p-fluorophenyl ketone,p-fluorophenyl isopropyl ketone PubChem CID: 2782829 IUPAC Name: 1-(4-fluorophenyl)-2-methylpropan-1-one SMILES: CC(C)C(=O)C1=CC=C(F)C=C1

PubChem CID 2782829
CAS 26393-91-9
Molecular Weight (g/mol) 166.20
MDL Number MFCD04038305
SMILES CC(C)C(=O)C1=CC=C(F)C=C1
Synonym 1-4-fluorophenyl-2-methylpropan-1-one,4'-fluoroisobutyrophenone,1-4-fluorophenyl-2-methyl-1-propanone,1-4-fluoro-phenyl-2-methyl-propan-1-one,1-propanone, 1-4-fluorophenyl-2-methyl,p-fluoroisobutyrophenone,1-4-fluorophenyl-2-methyl-propan-1-one,acmc-1chy0,isopropyl p-fluorophenyl ketone,p-fluorophenyl isopropyl ketone
IUPAC Name 1-(4-fluorophenyl)-2-methylpropan-1-one
InChI Key MHUVRVXSYXJUPK-UHFFFAOYSA-N
Molecular Formula C10H11FO
14

4-Hydroxy-4-methyl-2-pentanone, 99%

CAS: 123-42-2 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00004471 InChI Key: SWXVUIWOUIDPGS-UHFFFAOYSA-N Synonym: diacetone alcohol,4-hydroxy-4-methyl-2-pentanone,diacetonalkohol,diketone alcohol,diacetonalcohol,tyranton,acetonyldimethylcarbinol,diacetone-alcool,pyranton a,2-methyl-2-pentanol-4-one PubChem CID: 31256 ChEBI: CHEBI:55381 IUPAC Name: 4-hydroxy-4-methylpentan-2-one SMILES: CC(=O)CC(C)(C)O

PubChem CID 31256
CAS 123-42-2
Molecular Weight (g/mol) 116.16
ChEBI CHEBI:55381
MDL Number MFCD00004471
SMILES CC(=O)CC(C)(C)O
Synonym diacetone alcohol,4-hydroxy-4-methyl-2-pentanone,diacetonalkohol,diketone alcohol,diacetonalcohol,tyranton,acetonyldimethylcarbinol,diacetone-alcool,pyranton a,2-methyl-2-pentanol-4-one
IUPAC Name 4-hydroxy-4-methylpentan-2-one
InChI Key SWXVUIWOUIDPGS-UHFFFAOYSA-N
Molecular Formula C6H12O2
15

4-Hydroxy-4-methyl-2-pentanone, 98+%

CAS: 123-42-2 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00004471 InChI Key: SWXVUIWOUIDPGS-UHFFFAOYSA-N Synonym: diacetone alcohol,4-hydroxy-4-methyl-2-pentanone,diacetonalkohol,diketone alcohol,diacetonalcohol,tyranton,acetonyldimethylcarbinol,diacetone-alcool,pyranton a,2-methyl-2-pentanol-4-one PubChem CID: 31256 ChEBI: CHEBI:55381 IUPAC Name: 4-hydroxy-4-methylpentan-2-one SMILES: CC(=O)CC(C)(C)O

PubChem CID 31256
CAS 123-42-2
Molecular Weight (g/mol) 116.16
ChEBI CHEBI:55381
MDL Number MFCD00004471
SMILES CC(=O)CC(C)(C)O
Synonym diacetone alcohol,4-hydroxy-4-methyl-2-pentanone,diacetonalkohol,diketone alcohol,diacetonalcohol,tyranton,acetonyldimethylcarbinol,diacetone-alcool,pyranton a,2-methyl-2-pentanol-4-one
IUPAC Name 4-hydroxy-4-methylpentan-2-one
InChI Key SWXVUIWOUIDPGS-UHFFFAOYSA-N
Molecular Formula C6H12O2