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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1 – 15 of 71 results

5-(Hydroxymethyl)furfural, 98%

CAS: 67-47-0 Molecular Formula: C₆H₆O₃ Molecular Weight (g/mol): 126.11 InChI Key: NOEGNKMFWQHSLB-UHFFFAOYSA-N Synonym: 5-hydroxymethylfurfural,5-hydroxymethyl-2-furaldehyde,5-hydroxymethyl furfural,5-hydroxymethyl furan-2-carbaldehyde,hydroxymethylfurfural,5-hydroxymethyl-2-furfural,5-oxymethylfurfurole,5-hydroxymethylfuraldehyde,hydroxymethylfurfurole PubChem CID: 237332 ChEBI: CHEBI:412516 IUPAC Name: 5-(hydroxymethyl)furan-2-carbaldehyde SMILES: C1=C(OC(=C1)C=O)CO

Pricing and Availability
Specifications

PubChem CID	237332
CAS	67-47-0
Molecular Weight (g/mol)	126.11
ChEBI	CHEBI:412516
SMILES	C1=C(OC(=C1)C=O)CO
Synonym	5-hydroxymethylfurfural,5-hydroxymethyl-2-furaldehyde,5-hydroxymethyl furfural,5-hydroxymethyl furan-2-carbaldehyde,hydroxymethylfurfural,5-hydroxymethyl-2-furfural,5-oxymethylfurfurole,5-hydroxymethylfuraldehyde,hydroxymethylfurfurole
IUPAC Name	5-(hydroxymethyl)furan-2-carbaldehyde
InChI Key	NOEGNKMFWQHSLB-UHFFFAOYSA-N
Molecular Formula	C₆H₆O₃

tert-Butyl acetoacetate, 97%

CAS: 1694-31-1 Molecular Formula: C₈H₁₄O₃ Molecular Weight (g/mol): 158.2 MDL Number: MFCD00008811 InChI Key: JKUYRAMKJLMYLO-UHFFFAOYSA-N Synonym: tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate PubChem CID: 15538 IUPAC Name: tert-butyl 3-oxobutanoate SMILES: CC(=O)CC(=O)OC(C)(C)C

Pricing and Availability
Specifications

PubChem CID	15538
CAS	1694-31-1
Molecular Weight (g/mol)	158.2
MDL Number	MFCD00008811
SMILES	CC(=O)CC(=O)OC(C)(C)C
Synonym	tert-butyl acetoacetate,t-butyl acetoacetate,butanoic acid, 3-oxo-, 1,1-dimethylethyl ester,acetoacetic acid, tert-butyl ester,tert-butyl 3-oxobutyrate,acetoacetic acid tert-butyl ester,unii-1d3dos61gx,tbaa,1d3dos61gx,t-butylacetoacetate
IUPAC Name	tert-butyl 3-oxobutanoate
InChI Key	JKUYRAMKJLMYLO-UHFFFAOYSA-N
Molecular Formula	C₈H₁₄O₃

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

Pricing and Availability
Specifications

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

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

Pricing and Availability
Specifications

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

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

Salicylaldehyde, 99%

CAS: 90-02-8 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 MDL Number: MFCD00003317 InChI Key: SMQUZDBALVYZAC-UHFFFAOYSA-N Synonym: salicylaldehyde,o-hydroxybenzaldehyde,o-formylphenol,salicylal,2-formylphenol,benzaldehyde, 2-hydroxy,salicylic aldehyde,salicyladehyde,2-hydroxy-benzaldehyde,benzaldehyde, o-hydroxy PubChem CID: 6998 ChEBI: CHEBI:16008 IUPAC Name: 2-hydroxybenzaldehyde SMILES: OC1=CC=CC=C1C=O

Pricing and Availability
Specifications

PubChem CID	6998
CAS	90-02-8
Molecular Weight (g/mol)	122.12
ChEBI	CHEBI:16008
MDL Number	MFCD00003317
SMILES	OC1=CC=CC=C1C=O
Synonym	salicylaldehyde,o-hydroxybenzaldehyde,o-formylphenol,salicylal,2-formylphenol,benzaldehyde, 2-hydroxy,salicylic aldehyde,salicyladehyde,2-hydroxy-benzaldehyde,benzaldehyde, o-hydroxy
IUPAC Name	2-hydroxybenzaldehyde
InChI Key	SMQUZDBALVYZAC-UHFFFAOYSA-N
Molecular Formula	C7H6O2

Mesityl oxide, 99%, mixture of alpha- and beta-isomers

CAS: 141-79-7 Molecular Formula: C₆H₁₀O Molecular Weight (g/mol): 98.14 InChI Key: SHOJXDKTYKFBRD-UHFFFAOYSA-N Synonym: mesityl oxide,4-methyl-3-penten-2-one,3-penten-2-one, 4-methyl,isopropylideneacetone,isobutenyl methyl ketone,methyl isobutenyl ketone,mesityloxid,mesityloxyde,3-isohexen-2-one,isopropylidene acetone PubChem CID: 8858 IUPAC Name: 4-methylpent-3-en-2-one SMILES: CC(=CC(=O)C)C

Pricing and Availability
Specifications

PubChem CID	8858
CAS	141-79-7
Molecular Weight (g/mol)	98.14
SMILES	CC(=CC(=O)C)C
Synonym	mesityl oxide,4-methyl-3-penten-2-one,3-penten-2-one, 4-methyl,isopropylideneacetone,isobutenyl methyl ketone,methyl isobutenyl ketone,mesityloxid,mesityloxyde,3-isohexen-2-one,isopropylidene acetone
IUPAC Name	4-methylpent-3-en-2-one
InChI Key	SHOJXDKTYKFBRD-UHFFFAOYSA-N
Molecular Formula	C₆H₁₀O

Thermo Scientific Chemicals D(-)-Fructose, 99%

CAS: 57-48-7 Molecular Formula: C₆H₁₂O₆ Molecular Weight (g/mol): 180.16 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

Pricing and Availability
Specifications

PubChem CID	5984
CAS	57-48-7
Molecular Weight (g/mol)	180.16
ChEBI	CHEBI:48095
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

Chromium(III) 2,4-pentanedionate, 97%

CAS: 21679-31-2 Molecular Formula: C15H21CrO6 Molecular Weight (g/mol): 349.32 MDL Number: MFCD00000015 MFCD00000015 InChI Key: JWORPXLMBPOPPU-LNTINUHCSA-K Synonym: chromium iii acetylacetonate,dsstox_cid_30421,dsstox_gsid_51863 PubChem CID: 91759531 IUPAC Name: chromium;(Z)-4-oxoniumylidenepent-2-en-2-olate SMILES: [Cr+3].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O

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Specifications

PubChem CID	91759531
CAS	21679-31-2
Molecular Weight (g/mol)	349.32
MDL Number	MFCD00000015 MFCD00000015
SMILES	[Cr+3].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
Synonym	chromium iii acetylacetonate,dsstox_cid_30421,dsstox_gsid_51863
IUPAC Name	chromium;(Z)-4-oxoniumylidenepent-2-en-2-olate
InChI Key	JWORPXLMBPOPPU-LNTINUHCSA-K
Molecular Formula	C15H21CrO6

2-Chloro-4-hydroxybenzaldehyde, 97%

CAS: 56962-11-9 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00052184 InChI Key: ZMOMCILMBYEGLD-UHFFFAOYSA-N Synonym: benzaldehyde, 2-chloro-4-hydroxy,2-chloro-4-hydroxy-benzaldehyde,benzaldehyde, chloro-4-hydroxy,2-chloro-4-hydroxybenzaldehyde,pubchem7366,acmc-209lv6,ksc497o6r,2-chlor-4-hydroxy-benzaldehyd,2-chloranyl-4-oxidanyl-benzaldehyde PubChem CID: 185363 IUPAC Name: 2-chloro-4-hydroxybenzaldehyde SMILES: C1=CC(=C(C=C1O)Cl)C=O

Pricing and Availability
Specifications

PubChem CID	185363
CAS	56962-11-9
Molecular Weight (g/mol)	156.565
MDL Number	MFCD00052184
SMILES	C1=CC(=C(C=C1O)Cl)C=O
Synonym	benzaldehyde, 2-chloro-4-hydroxy,2-chloro-4-hydroxy-benzaldehyde,benzaldehyde, chloro-4-hydroxy,2-chloro-4-hydroxybenzaldehyde,pubchem7366,acmc-209lv6,ksc497o6r,2-chlor-4-hydroxy-benzaldehyd,2-chloranyl-4-oxidanyl-benzaldehyde
IUPAC Name	2-chloro-4-hydroxybenzaldehyde
InChI Key	ZMOMCILMBYEGLD-UHFFFAOYSA-N
Molecular Formula	C7H5ClO2

Ethyl 2-oxocyclopentanecarboxylate, 95+%

CAS: 611-10-9 Molecular Formula: C₈H₁₂O₃ Molecular Weight (g/mol): 156.18 MDL Number: MFCD00001412 InChI Key: JHZPNBKZPAWCJD-UHFFFAOYSA-N PubChem CID: 69136 IUPAC Name: ethyl 2-oxocyclopentane-1-carboxylate SMILES: CCOC(=O)C1CCCC1=O

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Specifications

PubChem CID	69136
CAS	611-10-9
Molecular Weight (g/mol)	156.18
MDL Number	MFCD00001412
SMILES	CCOC(=O)C1CCCC1=O
IUPAC Name	ethyl 2-oxocyclopentane-1-carboxylate
InChI Key	JHZPNBKZPAWCJD-UHFFFAOYSA-N
Molecular Formula	C₈H₁₂O₃

2-Pyridinecarboxaldehyde, 99%

CAS: 1121-60-4 Molecular Formula: C₆H₅NO Molecular Weight (g/mol): 107.11 MDL Number: MFCD00006290 InChI Key: CSDSSGBPEUDDEE-UHFFFAOYSA-N Synonym: 2-pyridinecarboxaldehyde,picolinaldehyde,pyridine-2-carboxaldehyde,2-formylpyridine,pyridine-2-aldehyde,picolinal,2-picolinaldehyde,2-pyridaldehyde,picolinic aldehyde,2-pyridylaldehyde PubChem CID: 14273 ChEBI: CHEBI:73012 IUPAC Name: pyridine-2-carbaldehyde SMILES: C1=CC=NC(=C1)C=O

Pricing and Availability
Specifications

PubChem CID	14273
CAS	1121-60-4
Molecular Weight (g/mol)	107.11
ChEBI	CHEBI:73012
MDL Number	MFCD00006290
SMILES	C1=CC=NC(=C1)C=O
Synonym	2-pyridinecarboxaldehyde,picolinaldehyde,pyridine-2-carboxaldehyde,2-formylpyridine,pyridine-2-aldehyde,picolinal,2-picolinaldehyde,2-pyridaldehyde,picolinic aldehyde,2-pyridylaldehyde
IUPAC Name	pyridine-2-carbaldehyde
InChI Key	CSDSSGBPEUDDEE-UHFFFAOYSA-N
Molecular Formula	C₆H₅NO

Ethyl 2-methylacetoacetate, 95%

CAS: 609-14-3 Molecular Formula: C₇H₁₂O₃ Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009164 InChI Key: FNENWZWNOPCZGK-UHFFFAOYSA-N Synonym: ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester PubChem CID: 701 IUPAC Name: ethyl 2-methyl-3-oxobutanoate SMILES: CCOC(=O)C(C)C(=O)C

Pricing and Availability
Specifications

PubChem CID	701
CAS	609-14-3
Molecular Weight (g/mol)	144.17
MDL Number	MFCD00009164
SMILES	CCOC(=O)C(C)C(=O)C
Synonym	ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester
IUPAC Name	ethyl 2-methyl-3-oxobutanoate
InChI Key	FNENWZWNOPCZGK-UHFFFAOYSA-N
Molecular Formula	C₇H₁₂O₃

Ethyl vinyl ketone, 97%, stab.

CAS: 1629-58-9 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00009316 InChI Key: JLIDVCMBCGBIEY-UHFFFAOYSA-N Synonym: 1-penten-3-one,ethyl vinyl ketone,ethylvinylketone,1-pentene-3-one,ethylvinyl ketone,pentenone,ketone, ethyl vinyl,vinyl ethyl ketone,unii-r0053y1az7,fema no. 3382 PubChem CID: 15394 IUPAC Name: pent-1-en-3-one SMILES: CCC(=O)C=C

Pricing and Availability
Specifications

PubChem CID	15394
CAS	1629-58-9
Molecular Weight (g/mol)	84.118
MDL Number	MFCD00009316
SMILES	CCC(=O)C=C
Synonym	1-penten-3-one,ethyl vinyl ketone,ethylvinylketone,1-pentene-3-one,ethylvinyl ketone,pentenone,ketone, ethyl vinyl,vinyl ethyl ketone,unii-r0053y1az7,fema no. 3382
IUPAC Name	pent-1-en-3-one
InChI Key	JLIDVCMBCGBIEY-UHFFFAOYSA-N
Molecular Formula	C5H8O

Thiophene-2-carboxaldehyde, 98+%

CAS: 98-03-3 Molecular Formula: C5H4OS Molecular Weight (g/mol): 112.15 MDL Number: MFCD00005429 InChI Key: CNUDBTRUORMMPA-UHFFFAOYSA-N Synonym: 2-thiophenecarboxaldehyde,2-thenaldehyde,thiophene-2-aldehyde,2-formylthiophene,2-thienylaldehyde,2-thiophenealdehyde,thiophene-2-carboxaldehyde,2-thienylcarboxaldehyde,2-thienaldehyde,alpha-formylthiophene PubChem CID: 7364 ChEBI: CHEBI:87301 IUPAC Name: thiophene-2-carbaldehyde SMILES: O=CC1=CC=CS1

Pricing and Availability
Specifications

PubChem CID	7364
CAS	98-03-3
Molecular Weight (g/mol)	112.15
ChEBI	CHEBI:87301
MDL Number	MFCD00005429
SMILES	O=CC1=CC=CS1
Synonym	2-thiophenecarboxaldehyde,2-thenaldehyde,thiophene-2-aldehyde,2-formylthiophene,2-thienylaldehyde,2-thiophenealdehyde,thiophene-2-carboxaldehyde,2-thienylcarboxaldehyde,2-thienaldehyde,alpha-formylthiophene
IUPAC Name	thiophene-2-carbaldehyde
InChI Key	CNUDBTRUORMMPA-UHFFFAOYSA-N
Molecular Formula	C5H4OS

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