Carbonyl compounds
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Ethyl isobutyrylacetate, 94%
CAS: 7152-15-0 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00009198 InChI Key: XCLDSQRVMMXWMS-UHFFFAOYSA-N Synonym: ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate PubChem CID: 81583 IUPAC Name: ethyl 4-methyl-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(C)C
| PubChem CID | 81583 |
|---|---|
| CAS | 7152-15-0 |
| Molecular Weight (g/mol) | 158.197 |
| MDL Number | MFCD00009198 |
| SMILES | CCOC(=O)CC(=O)C(C)C |
| Synonym | ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate |
| IUPAC Name | ethyl 4-methyl-3-oxopentanoate |
| InChI Key | XCLDSQRVMMXWMS-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
beta-Ionone, 96%
CAS: 79-77-6 Molecular Formula: C13H20O Molecular Weight (g/mol): 192.302 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: CC1=C(C(CCC1)(C)C)C=CC(=O)C
| PubChem CID | 638014 |
|---|---|
| CAS | 79-77-6 |
| Molecular Weight (g/mol) | 192.302 |
| ChEBI | CHEBI:32325 |
| MDL Number | MFCD00001549 |
| SMILES | CC1=C(C(CCC1)(C)C)C=CC(=O)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',4'-Dihydroxyacetophenone, 98%
CAS: 89-84-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002279 InChI Key: SULYEHHGGXARJS-UHFFFAOYSA-N Synonym: 2',4'-dihydroxyacetophenone,2,4-dihydroxyacetophenone,1-2,4-dihydroxyphenyl ethanone,resacetophenone,4-acetylresorcinol,resoacetophenone,ethanone, 1-2,4-dihydroxyphenyl,1-acetyl-2,4-dihydroxybenzene,resorcinol, 4-acetyl,1-2,4-dihydroxyphenyl ethan-1-one PubChem CID: 6990 ChEBI: CHEBI:18414 IUPAC Name: 1-(2,4-dihydroxyphenyl)ethanone SMILES: CC(=O)C1=CC=C(O)C=C1O
| PubChem CID | 6990 |
|---|---|
| CAS | 89-84-9 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:18414 |
| MDL Number | MFCD00002279 |
| SMILES | CC(=O)C1=CC=C(O)C=C1O |
| Synonym | 2',4'-dihydroxyacetophenone,2,4-dihydroxyacetophenone,1-2,4-dihydroxyphenyl ethanone,resacetophenone,4-acetylresorcinol,resoacetophenone,ethanone, 1-2,4-dihydroxyphenyl,1-acetyl-2,4-dihydroxybenzene,resorcinol, 4-acetyl,1-2,4-dihydroxyphenyl ethan-1-one |
| IUPAC Name | 1-(2,4-dihydroxyphenyl)ethanone |
| InChI Key | SULYEHHGGXARJS-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
6-Methoxy-1-indanone, 99%, Thermo Scientific Chemicals
CAS: 13623-25-1 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00021232 InChI Key: UJGDLLGKMWVCPT-UHFFFAOYSA-N Synonym: 6-methoxy-1-indanone,6-methoxy-1h-indanone,6-methoxy-indan-1-one,6-methoxy-2,3-dihydro-1h-inden-1-one,6-methoxyindan-1-one,2,3-dihydro-6-methoxyinden-1-one,1h-inden-1-one, 2,3-dihydro-6-methoxy,6-methoxyindanone,6-methoxy indanone,6-methoxy-1-indanon PubChem CID: 334036 IUPAC Name: 6-methoxy-2,3-dihydroinden-1-one SMILES: COC1=CC=C2CCC(=O)C2=C1
| PubChem CID | 334036 |
|---|---|
| CAS | 13623-25-1 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00021232 |
| SMILES | COC1=CC=C2CCC(=O)C2=C1 |
| Synonym | 6-methoxy-1-indanone,6-methoxy-1h-indanone,6-methoxy-indan-1-one,6-methoxy-2,3-dihydro-1h-inden-1-one,6-methoxyindan-1-one,2,3-dihydro-6-methoxyinden-1-one,1h-inden-1-one, 2,3-dihydro-6-methoxy,6-methoxyindanone,6-methoxy indanone,6-methoxy-1-indanon |
| IUPAC Name | 6-methoxy-2,3-dihydroinden-1-one |
| InChI Key | UJGDLLGKMWVCPT-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
5-Acetylsalicylic acid, 98+%
CAS: 13110-96-8 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00013978 InChI Key: NZRDKNBIPVLNHA-UHFFFAOYSA-N PubChem CID: 83151 IUPAC Name: 5-acetyl-2-hydroxybenzoic acid SMILES: CC(=O)C1=CC(=C(C=C1)O)C(=O)O
| PubChem CID | 83151 |
|---|---|
| CAS | 13110-96-8 |
| Molecular Weight (g/mol) | 180.159 |
| MDL Number | MFCD00013978 |
| SMILES | CC(=O)C1=CC(=C(C=C1)O)C(=O)O |
| IUPAC Name | 5-acetyl-2-hydroxybenzoic acid |
| InChI Key | NZRDKNBIPVLNHA-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
2',4'-Dihydroxyacetophenone, 98%
CAS: 89-84-9 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00002279 InChI Key: SULYEHHGGXARJS-UHFFFAOYSA-N Synonym: 2',4'-dihydroxyacetophenone,2,4-dihydroxyacetophenone,1-2,4-dihydroxyphenyl ethanone,resacetophenone,4-acetylresorcinol,resoacetophenone,ethanone, 1-2,4-dihydroxyphenyl,1-acetyl-2,4-dihydroxybenzene,resorcinol, 4-acetyl,1-2,4-dihydroxyphenyl ethan-1-one PubChem CID: 6990 ChEBI: CHEBI:18414 SMILES: CC(=O)C1=CC=C(O)C=C1O
| PubChem CID | 6990 |
|---|---|
| CAS | 89-84-9 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:18414 |
| MDL Number | MFCD00002279 |
| SMILES | CC(=O)C1=CC=C(O)C=C1O |
| Synonym | 2',4'-dihydroxyacetophenone,2,4-dihydroxyacetophenone,1-2,4-dihydroxyphenyl ethanone,resacetophenone,4-acetylresorcinol,resoacetophenone,ethanone, 1-2,4-dihydroxyphenyl,1-acetyl-2,4-dihydroxybenzene,resorcinol, 4-acetyl,1-2,4-dihydroxyphenyl ethan-1-one |
| InChI Key | SULYEHHGGXARJS-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
4-Chlorobenzoylacetonitrile, 98%
CAS: 4640-66-8 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.603 MDL Number: MFCD00051625 InChI Key: JYOUFPNYTOFCSJ-UHFFFAOYSA-N Synonym: 4-chlorobenzoylacetonitrile,3-4-chlorophenyl-3-oxopropanenitrile,4-chlorophenacylcyanide,p-chlorophenacyl cyanide,4-chlorobenzoyl acetonitrile,3-4-chloro-phenyl-3-oxo-propionitrile,4-chlorobenzoylacetonitirle,zlchem 1256,pubchem12045,acmc-1akag PubChem CID: 138308 IUPAC Name: 3-(4-chlorophenyl)-3-oxopropanenitrile SMILES: C1=CC(=CC=C1C(=O)CC#N)Cl
| PubChem CID | 138308 |
|---|---|
| CAS | 4640-66-8 |
| Molecular Weight (g/mol) | 179.603 |
| MDL Number | MFCD00051625 |
| SMILES | C1=CC(=CC=C1C(=O)CC#N)Cl |
| Synonym | 4-chlorobenzoylacetonitrile,3-4-chlorophenyl-3-oxopropanenitrile,4-chlorophenacylcyanide,p-chlorophenacyl cyanide,4-chlorobenzoyl acetonitrile,3-4-chloro-phenyl-3-oxo-propionitrile,4-chlorobenzoylacetonitirle,zlchem 1256,pubchem12045,acmc-1akag |
| IUPAC Name | 3-(4-chlorophenyl)-3-oxopropanenitrile |
| InChI Key | JYOUFPNYTOFCSJ-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO |
4'-Bromo-3'-nitroacetophenone, 99%
CAS: 18640-58-9 Molecular Formula: C8H6BrNO3 Molecular Weight (g/mol): 244.04 MDL Number: MFCD00016985 InChI Key: YFVOFFKNHQTQQE-UHFFFAOYSA-N Synonym: 1-4-bromo-3-nitrophenyl ethanone,4'-bromo-3'-nitroacetophenone,1-4-bromo-3-nitrophenyl ethan-1-one,4-bromo-3-nitroacetophenone,4-bromo-3'-nitroacetophenone,ethanone, 1-4-bromo-3-nitrophenyl,acmc-209eny,3-nitro-4-bromoacetophenone,4-bromo-3-nitro acetophenone,3'-nitro-4'-bromoacetophenone PubChem CID: 87737 IUPAC Name: 1-(4-bromo-3-nitrophenyl)ethanone SMILES: CC(=O)C1=CC=C(Br)C(=C1)[N+]([O-])=O
| PubChem CID | 87737 |
|---|---|
| CAS | 18640-58-9 |
| Molecular Weight (g/mol) | 244.04 |
| MDL Number | MFCD00016985 |
| SMILES | CC(=O)C1=CC=C(Br)C(=C1)[N+]([O-])=O |
| Synonym | 1-4-bromo-3-nitrophenyl ethanone,4'-bromo-3'-nitroacetophenone,1-4-bromo-3-nitrophenyl ethan-1-one,4-bromo-3-nitroacetophenone,4-bromo-3'-nitroacetophenone,ethanone, 1-4-bromo-3-nitrophenyl,acmc-209eny,3-nitro-4-bromoacetophenone,4-bromo-3-nitro acetophenone,3'-nitro-4'-bromoacetophenone |
| IUPAC Name | 1-(4-bromo-3-nitrophenyl)ethanone |
| InChI Key | YFVOFFKNHQTQQE-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrNO3 |
3-Bromo-4-heptanone, 98%
CAS: 42330-10-9 Molecular Formula: C7H13BrO Molecular Weight (g/mol): 193.08 MDL Number: MFCD09757526 InChI Key: SFKVBRLKXVRUQW-UHFFFAOYNA-N Synonym: 3-bromo-4-heptanone,4-heptanone, 3-bromo PubChem CID: 11469593 IUPAC Name: 3-bromoheptan-4-one SMILES: CCCC(=O)C(Br)CC
| PubChem CID | 11469593 |
|---|---|
| CAS | 42330-10-9 |
| Molecular Weight (g/mol) | 193.08 |
| MDL Number | MFCD09757526 |
| SMILES | CCCC(=O)C(Br)CC |
| Synonym | 3-bromo-4-heptanone,4-heptanone, 3-bromo |
| IUPAC Name | 3-bromoheptan-4-one |
| InChI Key | SFKVBRLKXVRUQW-UHFFFAOYNA-N |
| Molecular Formula | C7H13BrO |
2-Hydroxyacetophenone, 97+%
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 |
4'-Methylacetophenone, 95%
CAS: 122-00-9 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00008751 InChI Key: GNKZMNRKLCTJAY-UHFFFAOYSA-N Synonym: 4'-methylacetophenone,p-methylacetophenone,1-p-tolyl ethanone,1-p-tolylethanone,melilotal,4-methylacetophenone,4-acetyltoluene,1-4-methylphenyl ethanone,methyl p-tolyl ketone,p-acetotoluene PubChem CID: 8500 IUPAC Name: 1-(4-methylphenyl)ethanone SMILES: CC(=O)C1=CC=C(C)C=C1
| PubChem CID | 8500 |
|---|---|
| CAS | 122-00-9 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD00008751 |
| SMILES | CC(=O)C1=CC=C(C)C=C1 |
| Synonym | 4'-methylacetophenone,p-methylacetophenone,1-p-tolyl ethanone,1-p-tolylethanone,melilotal,4-methylacetophenone,4-acetyltoluene,1-4-methylphenyl ethanone,methyl p-tolyl ketone,p-acetotoluene |
| IUPAC Name | 1-(4-methylphenyl)ethanone |
| InChI Key | GNKZMNRKLCTJAY-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
2-Bromo-4'-chloroacetophenone, 98+%
CAS: 536-38-9 Molecular Formula: C8H6BrClO Molecular Weight (g/mol): 233.49 MDL Number: MFCD00000625 InChI Key: FLAYZKKEOIAALB-UHFFFAOYSA-N Synonym: 2-bromo-4'-chloroacetophenone,2-bromo-1-4-chlorophenyl ethanone,4-chlorophenacyl bromide,p-chlorophenacyl bromide,2-bromo-1-4-chlorophenyl ethan-1-one,ethanone, 2-bromo-1-4-chlorophenyl,4'-chlorophenacyl bromide,2-bromo-p-chloroacetophenone,p-bromoacetyl chlorobenzene,4'-chloro-2-bromoacetophenone PubChem CID: 68303 IUPAC Name: 2-bromo-1-(4-chlorophenyl)ethanone SMILES: C1=CC(=CC=C1C(=O)CBr)Cl
| PubChem CID | 68303 |
|---|---|
| CAS | 536-38-9 |
| Molecular Weight (g/mol) | 233.49 |
| MDL Number | MFCD00000625 |
| SMILES | C1=CC(=CC=C1C(=O)CBr)Cl |
| Synonym | 2-bromo-4'-chloroacetophenone,2-bromo-1-4-chlorophenyl ethanone,4-chlorophenacyl bromide,p-chlorophenacyl bromide,2-bromo-1-4-chlorophenyl ethan-1-one,ethanone, 2-bromo-1-4-chlorophenyl,4'-chlorophenacyl bromide,2-bromo-p-chloroacetophenone,p-bromoacetyl chlorobenzene,4'-chloro-2-bromoacetophenone |
| IUPAC Name | 2-bromo-1-(4-chlorophenyl)ethanone |
| InChI Key | FLAYZKKEOIAALB-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrClO |
3-(4-Methoxybenzoyl)propionic acid, 98+%
CAS: 3153-44-4 Molecular Formula: C11H12O4 Molecular Weight (g/mol): 208.213 MDL Number: MFCD00002795 InChI Key: OMTDIBZSUZNVJK-UHFFFAOYSA-N Synonym: 3-4-methoxybenzoyl propionic acid,4-4-methoxyphenyl-4-oxobutanoic acid,4-4-methoxyphenyl-4-oxobutyric acid,3-4-methoxybenzoyl propanoic acid,beta-p-methoxybenzoyl propionic acid,4-4-methoxyphenyl-4-oxo-butyric acid,4-4-methoxyphenyl-4-oxo-butanoic acid,benzenebutanoic acid, 4-methoxy-gamma-oxo,maybridge1_002003,acmc-1cl1u PubChem CID: 76613 IUPAC Name: 4-(4-methoxyphenyl)-4-oxobutanoic acid SMILES: COC1=CC=C(C=C1)C(=O)CCC(=O)O
| PubChem CID | 76613 |
|---|---|
| CAS | 3153-44-4 |
| Molecular Weight (g/mol) | 208.213 |
| MDL Number | MFCD00002795 |
| SMILES | COC1=CC=C(C=C1)C(=O)CCC(=O)O |
| Synonym | 3-4-methoxybenzoyl propionic acid,4-4-methoxyphenyl-4-oxobutanoic acid,4-4-methoxyphenyl-4-oxobutyric acid,3-4-methoxybenzoyl propanoic acid,beta-p-methoxybenzoyl propionic acid,4-4-methoxyphenyl-4-oxo-butyric acid,4-4-methoxyphenyl-4-oxo-butanoic acid,benzenebutanoic acid, 4-methoxy-gamma-oxo,maybridge1_002003,acmc-1cl1u |
| IUPAC Name | 4-(4-methoxyphenyl)-4-oxobutanoic acid |
| InChI Key | OMTDIBZSUZNVJK-UHFFFAOYSA-N |
| Molecular Formula | C11H12O4 |
Pyruvic acid, 98%, extra pure
CAS: 127-17-3 Molecular Formula: C3H4O3 Molecular Weight (g/mol): 88.06 MDL Number: MFCD00002585 InChI Key: LCTONWCANYUPML-UHFFFAOYSA-N Synonym: pyruvic acid,pyroracemic acid,2-oxopropionic acid,acetylformic acid,alpha-ketopropionic acid,2-ketopropionic acid,2-oxopropanoate,propanoic acid, 2-oxo,2-oxo-propionic acid,2-oxopropansaeure PubChem CID: 1060 ChEBI: CHEBI:32816 IUPAC Name: 2-oxopropanoic acid SMILES: CC(=O)C(O)=O
| PubChem CID | 1060 |
|---|---|
| CAS | 127-17-3 |
| Molecular Weight (g/mol) | 88.06 |
| ChEBI | CHEBI:32816 |
| MDL Number | MFCD00002585 |
| SMILES | CC(=O)C(O)=O |
| Synonym | pyruvic acid,pyroracemic acid,2-oxopropionic acid,acetylformic acid,alpha-ketopropionic acid,2-ketopropionic acid,2-oxopropanoate,propanoic acid, 2-oxo,2-oxo-propionic acid,2-oxopropansaeure |
| IUPAC Name | 2-oxopropanoic acid |
| InChI Key | LCTONWCANYUPML-UHFFFAOYSA-N |
| Molecular Formula | C3H4O3 |
3',5'-Bis(trifluoromethyl)acetophenone, 98%
CAS: 30071-93-3 Molecular Formula: C10H6F6O Molecular Weight (g/mol): 256.15 MDL Number: MFCD00009910 InChI Key: MCYCSIKSZLARBD-UHFFFAOYSA-N Synonym: 3',5'-bis trifluoromethyl acetophenone,3,5-bis trifluoromethyl acetophenone,1-3,5-bis trifluoromethyl phenyl ethanone,1-3,5-bis trifluoromethyl phenyl ethan-1-one,mbt-ac,1-3,5-di trifluoromethyl phenyl ethan-1-one,3,5-ditrifluoromethylacetophenone,3',5'-bis-trifluoromethylacetophenone PubChem CID: 121616 SMILES: CC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
| PubChem CID | 121616 |
|---|---|
| CAS | 30071-93-3 |
| Molecular Weight (g/mol) | 256.15 |
| MDL Number | MFCD00009910 |
| SMILES | CC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| Synonym | 3',5'-bis trifluoromethyl acetophenone,3,5-bis trifluoromethyl acetophenone,1-3,5-bis trifluoromethyl phenyl ethanone,1-3,5-bis trifluoromethyl phenyl ethan-1-one,mbt-ac,1-3,5-di trifluoromethyl phenyl ethan-1-one,3,5-ditrifluoromethylacetophenone,3',5'-bis-trifluoromethylacetophenone |
| InChI Key | MCYCSIKSZLARBD-UHFFFAOYSA-N |
| Molecular Formula | C10H6F6O |