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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 (110)
Complex Aldehydes (67)
Alpha beta-unsaturated carbonyl compounds (41)
Dicarbonyl Compounds (19)

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Acetone

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1 – 15 of 92 results
1

Acetone-1,3-dicarboxylic acid, 97%

CAS: 542-05-2 Molecular Formula: C5H6O5 Molecular Weight (g/mol): 146.098 MDL Number: MFCD00002711 InChI Key: OXTNCQMOKLOUAM-UHFFFAOYSA-N Synonym: 1,3-acetonedicarboxylic acid,3-oxoglutaric acid,acetonedicarboxylic acid,pentanedioic acid, 3-oxo,acetone-1,3-dicarboxylic acid,3-ketoglutaric acid,unii-ih7p7wo21p,1,3-acetonedicarboxylic acid; 3-ketoglutaric acid,ih7p7wo21p,acetondicarbonsaure PubChem CID: 68328 IUPAC Name: 3-oxopentanedioic acid SMILES: C(C(=O)CC(=O)O)C(=O)O

PubChem CID 68328
CAS 542-05-2
Molecular Weight (g/mol) 146.098
MDL Number MFCD00002711
SMILES C(C(=O)CC(=O)O)C(=O)O
Synonym 1,3-acetonedicarboxylic acid,3-oxoglutaric acid,acetonedicarboxylic acid,pentanedioic acid, 3-oxo,acetone-1,3-dicarboxylic acid,3-ketoglutaric acid,unii-ih7p7wo21p,1,3-acetonedicarboxylic acid; 3-ketoglutaric acid,ih7p7wo21p,acetondicarbonsaure
IUPAC Name 3-oxopentanedioic acid
InChI Key OXTNCQMOKLOUAM-UHFFFAOYSA-N
Molecular Formula C5H6O5
2

Diethyl acetone-1,3-dicarboxylate, 96%

CAS: 105-50-0 Molecular Formula: C9H14O5 Molecular Weight (g/mol): 202.21 MDL Number: MFCD00009200 InChI Key: ZSANYRMTSBBUCA-UHFFFAOYSA-N Synonym: diethyl 1,3-acetonedicarboxylate,diethyl 3-oxoglutarate,1,5-diethyl 3-oxopentanedioate,pentanedioic acid, 3-oxo-, diethyl ester,ethyl acetonedicarboxylate,ethyl 3-oxoglutarate,diethyl acetone-1,3-dicarboxylate,diethyl acetone dicarboxylate,3-oxopentanedioic acid diethyl ester,acetonedicarboxylic acid diethyl ester PubChem CID: 66045 IUPAC Name: diethyl 3-oxopentanedioate SMILES: CCOC(=O)CC(=O)CC(=O)OCC

PubChem CID 66045
CAS 105-50-0
Molecular Weight (g/mol) 202.21
MDL Number MFCD00009200
SMILES CCOC(=O)CC(=O)CC(=O)OCC
Synonym diethyl 1,3-acetonedicarboxylate,diethyl 3-oxoglutarate,1,5-diethyl 3-oxopentanedioate,pentanedioic acid, 3-oxo-, diethyl ester,ethyl acetonedicarboxylate,ethyl 3-oxoglutarate,diethyl acetone-1,3-dicarboxylate,diethyl acetone dicarboxylate,3-oxopentanedioic acid diethyl ester,acetonedicarboxylic acid diethyl ester
IUPAC Name diethyl 3-oxopentanedioate
InChI Key ZSANYRMTSBBUCA-UHFFFAOYSA-N
Molecular Formula C9H14O5
3

Vanillin, 99%

CAS: 121-33-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00006942,MFCD08702848 InChI Key: MWOOGOJBHIARFG-UHFFFAOYSA-N Synonym: vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde PubChem CID: 1183 ChEBI: CHEBI:18346 IUPAC Name: 4-hydroxy-3-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1O

EDGE
PubChem CID 1183
CAS 121-33-5
Molecular Weight (g/mol) 152.15
ChEBI CHEBI:18346
MDL Number MFCD00006942,MFCD08702848
SMILES COC1=CC(C=O)=CC=C1O
Synonym vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde
IUPAC Name 4-hydroxy-3-methoxybenzaldehyde
InChI Key MWOOGOJBHIARFG-UHFFFAOYSA-N
Molecular Formula C8H8O3
4

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
5
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Ethyl acetoacetate, 99+%, extra pure

CAS: 141-97-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 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) 130.14
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
6
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Platinum(II) acetylacetonate, 98%

CAS: 15170-57-7 Molecular Formula: C10H14O4Pt Molecular Weight (g/mol): 393.30 MDL Number: MFCD00000028 InChI Key: KLFRPGNCEJNEKU-FDGPNNRMSA-L Synonym: platinum ii acetylacetonate,pt acac 2,platinum bis acetylacetonate,acetylacetone platinum ii salt,platinum 2,4-pentanedionate,2,4-pentanedione platinum ii derivative,bis acetylacetonato platinum,bis acetylacetonato platinum ii,2,4-pentanedione, platinum ii PubChem CID: 10960186 IUPAC Name: (Z)-4-hydroxypent-3-en-2-one;platinum SMILES: [Pt++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O

EDGE
PubChem CID 10960186
CAS 15170-57-7
Molecular Weight (g/mol) 393.30
MDL Number MFCD00000028
SMILES [Pt++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
Synonym platinum ii acetylacetonate,pt acac 2,platinum bis acetylacetonate,acetylacetone platinum ii salt,platinum 2,4-pentanedionate,2,4-pentanedione platinum ii derivative,bis acetylacetonato platinum,bis acetylacetonato platinum ii,2,4-pentanedione, platinum ii
IUPAC Name (Z)-4-hydroxypent-3-en-2-one;platinum
InChI Key KLFRPGNCEJNEKU-FDGPNNRMSA-L
Molecular Formula C10H14O4Pt
7
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3',5'-Dimethoxy-4'-hydroxyacetophenone, 97%

CAS: 2478-38-8 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.20 MDL Number: MFCD00008748 InChI Key: OJOBTAOGJIWAGB-UHFFFAOYSA-N Synonym: acetosyringone,3',5'-dimethoxy-4'-hydroxyacetophenone,1-4-hydroxy-3,5-dimethoxyphenyl ethanone,4'-hydroxy-3',5'-dimethoxyacetophenone,3,5-dimethoxy-4-hydroxyacetophenone,acetosyringon,ethanone, 1-4-hydroxy-3,5-dimethoxyphenyl,1-4-hydroxy-3,5-dimethoxyphenyl ethan-1-one,acetosyringenin,acetophenone, 4'-hydroxy-3',5'-dimethoxy PubChem CID: 17198 ChEBI: CHEBI:2404 IUPAC Name: 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone SMILES: COC1=CC(=CC(OC)=C1O)C(C)=O

EDGE
PubChem CID 17198
CAS 2478-38-8
Molecular Weight (g/mol) 196.20
ChEBI CHEBI:2404
MDL Number MFCD00008748
SMILES COC1=CC(=CC(OC)=C1O)C(C)=O
Synonym acetosyringone,3',5'-dimethoxy-4'-hydroxyacetophenone,1-4-hydroxy-3,5-dimethoxyphenyl ethanone,4'-hydroxy-3',5'-dimethoxyacetophenone,3,5-dimethoxy-4-hydroxyacetophenone,acetosyringon,ethanone, 1-4-hydroxy-3,5-dimethoxyphenyl,1-4-hydroxy-3,5-dimethoxyphenyl ethan-1-one,acetosyringenin,acetophenone, 4'-hydroxy-3',5'-dimethoxy
IUPAC Name 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
InChI Key OJOBTAOGJIWAGB-UHFFFAOYSA-N
Molecular Formula C10H12O4
8

Hydroxyacetone, Technical

CAS: 116-09-6 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.08 MDL Number: MFCD00004669 InChI Key: XLSMFKSTNGKWQX-UHFFFAOYSA-N Synonym: hydroxyacetone,acetol,acetone alcohol,1-hydroxy-2-propanone,2-propanone, 1-hydroxy,1-hydroxyacetone,methanol, acetyl,acetylmethanol,acetylcarbinol,2-oxopropanol PubChem CID: 8299 ChEBI: CHEBI:27957 IUPAC Name: 1-hydroxypropan-2-one SMILES: CC(=O)CO

PubChem CID 8299
CAS 116-09-6
Molecular Weight (g/mol) 74.08
ChEBI CHEBI:27957
MDL Number MFCD00004669
SMILES CC(=O)CO
Synonym hydroxyacetone,acetol,acetone alcohol,1-hydroxy-2-propanone,2-propanone, 1-hydroxy,1-hydroxyacetone,methanol, acetyl,acetylmethanol,acetylcarbinol,2-oxopropanol
IUPAC Name 1-hydroxypropan-2-one
InChI Key XLSMFKSTNGKWQX-UHFFFAOYSA-N
Molecular Formula C3H6O2
9

Fluoroacetone, 97%

CAS: 430-51-3 Molecular Formula: C3H5FO Molecular Weight (g/mol): 76.06 MDL Number: MFCD00000451 InChI Key: MSWVMWGCNZQPIA-UHFFFAOYSA-N Synonym: fluoroacetone,1-fluoro-2-propanone,1-fluoroacetone,2-propanone, 1-fluoro,mono-fluoroacetone,acetone, fluoro,1-fluoroacetone #,ch3coch2f,acmc-1bne0 PubChem CID: 9889 IUPAC Name: 1-fluoropropan-2-one SMILES: CC(=O)CF

PubChem CID 9889
CAS 430-51-3
Molecular Weight (g/mol) 76.06
MDL Number MFCD00000451
SMILES CC(=O)CF
Synonym fluoroacetone,1-fluoro-2-propanone,1-fluoroacetone,2-propanone, 1-fluoro,mono-fluoroacetone,acetone, fluoro,1-fluoroacetone #,ch3coch2f,acmc-1bne0
IUPAC Name 1-fluoropropan-2-one
InChI Key MSWVMWGCNZQPIA-UHFFFAOYSA-N
Molecular Formula C3H5FO
10
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Methyl vinyl ketone, 94%, stabilized

CAS: 78-94-4 Molecular Formula: C4H6O Molecular Weight (g/mol): 70.09 MDL Number: MFCD00008777 InChI Key: FUSUHKVFWTUUBE-UHFFFAOYSA-N Synonym: methyl ethenyl ketone,butenone,2-butenone,methylene acetone,methyl vinyl ketone,vinyl methyl ketone,3-butene-2-one,acetyl ethylene,methylvinylketon,3-buten-2-one PubChem CID: 6570 ChEBI: CHEBI:48058 IUPAC Name: but-3-en-2-one SMILES: CC(=O)C=C

PubChem CID 6570
CAS 78-94-4
Molecular Weight (g/mol) 70.09
ChEBI CHEBI:48058
MDL Number MFCD00008777
SMILES CC(=O)C=C
Synonym methyl ethenyl ketone,butenone,2-butenone,methylene acetone,methyl vinyl ketone,vinyl methyl ketone,3-butene-2-one,acetyl ethylene,methylvinylketon,3-buten-2-one
IUPAC Name but-3-en-2-one
InChI Key FUSUHKVFWTUUBE-UHFFFAOYSA-N
Molecular Formula C4H6O
11

1,1,1-Trifluoro-2,4-pentanedione, 98%

CAS: 367-57-7 Molecular Formula: C5H5F3O2 Molecular Weight (g/mol): 154.09 MDL Number: MFCD00000427 InChI Key: SHXHPUAKLCCLDV-UHFFFAOYSA-N Synonym: 1,1,1-trifluoro-2,4-pentanedione,trifluoroacetylacetone,1,1,1-trifluoroacetylacetone,trifluoroacetyl acetone,acetyl trifluoroacetone,2,4-pentanedione, 1,1,1-trifluoro,tfpd-h,unii-9n20a8g8sw,alpha,alpha,alpha-trifluoroacetylacetone,a,a,a-trifluoroacetylacetone PubChem CID: 73943 IUPAC Name: 1,1,1-trifluoropentane-2,4-dione SMILES: CC(=O)CC(=O)C(F)(F)F

PubChem CID 73943
CAS 367-57-7
Molecular Weight (g/mol) 154.09
MDL Number MFCD00000427
SMILES CC(=O)CC(=O)C(F)(F)F
Synonym 1,1,1-trifluoro-2,4-pentanedione,trifluoroacetylacetone,1,1,1-trifluoroacetylacetone,trifluoroacetyl acetone,acetyl trifluoroacetone,2,4-pentanedione, 1,1,1-trifluoro,tfpd-h,unii-9n20a8g8sw,alpha,alpha,alpha-trifluoroacetylacetone,a,a,a-trifluoroacetylacetone
IUPAC Name 1,1,1-trifluoropentane-2,4-dione
InChI Key SHXHPUAKLCCLDV-UHFFFAOYSA-N
Molecular Formula C5H5F3O2
12

1,1,1-Trifluoro-2,4-pentanedione, 98%

CAS: 367-57-7 Molecular Formula: C5H5F3O2 Molecular Weight (g/mol): 154.09 MDL Number: MFCD00000427 InChI Key: SHXHPUAKLCCLDV-UHFFFAOYSA-N Synonym: 1,1,1-trifluoro-2,4-pentanedione,trifluoroacetylacetone,1,1,1-trifluoroacetylacetone,trifluoroacetyl acetone,acetyl trifluoroacetone,2,4-pentanedione, 1,1,1-trifluoro,tfpd-h,unii-9n20a8g8sw,alpha,alpha,alpha-trifluoroacetylacetone,a,a,a-trifluoroacetylacetone PubChem CID: 73943 IUPAC Name: 1,1,1-trifluoropentane-2,4-dione SMILES: CC(=O)CC(=O)C(F)(F)F

PubChem CID 73943
CAS 367-57-7
Molecular Weight (g/mol) 154.09
MDL Number MFCD00000427
SMILES CC(=O)CC(=O)C(F)(F)F
Synonym 1,1,1-trifluoro-2,4-pentanedione,trifluoroacetylacetone,1,1,1-trifluoroacetylacetone,trifluoroacetyl acetone,acetyl trifluoroacetone,2,4-pentanedione, 1,1,1-trifluoro,tfpd-h,unii-9n20a8g8sw,alpha,alpha,alpha-trifluoroacetylacetone,a,a,a-trifluoroacetylacetone
IUPAC Name 1,1,1-trifluoropentane-2,4-dione
InChI Key SHXHPUAKLCCLDV-UHFFFAOYSA-N
Molecular Formula C5H5F3O2
13
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1,3-Dichloroacetone, 96%

CAS: 534-07-6 Molecular Formula: C3H4Cl2O Molecular Weight (g/mol): 126.96 MDL Number: MFCD00000937 InChI Key: SUNMBRGCANLOEG-UHFFFAOYSA-N Synonym: 1,3-dichloroacetone,1,3-dichloro-2-propanone,1,3-dichloropropanone,s-dichloroacetone,sym-dichloroacetone,bis chloromethyl ketone,2-propanone, 1,3-dichloro,acetone, 1,3-dichloro,chloromethyl ketone PubChem CID: 10793 IUPAC Name: 1,3-dichloropropan-2-one SMILES: ClCC(=O)CCl

PubChem CID 10793
CAS 534-07-6
Molecular Weight (g/mol) 126.96
MDL Number MFCD00000937
SMILES ClCC(=O)CCl
Synonym 1,3-dichloroacetone,1,3-dichloro-2-propanone,1,3-dichloropropanone,s-dichloroacetone,sym-dichloroacetone,bis chloromethyl ketone,2-propanone, 1,3-dichloro,acetone, 1,3-dichloro,chloromethyl ketone
IUPAC Name 1,3-dichloropropan-2-one
InChI Key SUNMBRGCANLOEG-UHFFFAOYSA-N
Molecular Formula C3H4Cl2O
14

Hydroxyacetone, 95%

CAS: 116-09-6 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.079 MDL Number: MFCD00004669 InChI Key: XLSMFKSTNGKWQX-UHFFFAOYSA-N Synonym: hydroxyacetone,acetol,acetone alcohol,1-hydroxy-2-propanone,2-propanone, 1-hydroxy,1-hydroxyacetone,methanol, acetyl,acetylmethanol,acetylcarbinol,2-oxopropanol PubChem CID: 8299 ChEBI: CHEBI:27957 IUPAC Name: 1-hydroxypropan-2-one SMILES: CC(=O)CO

PubChem CID 8299
CAS 116-09-6
Molecular Weight (g/mol) 74.079
ChEBI CHEBI:27957
MDL Number MFCD00004669
SMILES CC(=O)CO
Synonym hydroxyacetone,acetol,acetone alcohol,1-hydroxy-2-propanone,2-propanone, 1-hydroxy,1-hydroxyacetone,methanol, acetyl,acetylmethanol,acetylcarbinol,2-oxopropanol
IUPAC Name 1-hydroxypropan-2-one
InChI Key XLSMFKSTNGKWQX-UHFFFAOYSA-N
Molecular Formula C3H6O2
15

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