Carbonyl compounds
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Decanophenone 98.0+%, TCI America™
CAS: 6048-82-4 Molecular Formula: C16H24O Molecular Weight (g/mol): 232.37 MDL Number: MFCD00009582 InChI Key: QQXJNLYVPPBERR-UHFFFAOYSA-N Synonym: decanophenone,1-decanone, 1-phenyl,n-decanophenone,capriphenone,ketone, nonyl phenyl,ketone, nonenyl phenyl,nonyl phenyl ketone,1-phenyl-1-decanone,acmc-209mkb PubChem CID: 80148 IUPAC Name: 1-phenyldecan-1-one SMILES: CCCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 80148 |
|---|---|
| CAS | 6048-82-4 |
| Molecular Weight (g/mol) | 232.37 |
| MDL Number | MFCD00009582 |
| SMILES | CCCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | decanophenone,1-decanone, 1-phenyl,n-decanophenone,capriphenone,ketone, nonyl phenyl,ketone, nonenyl phenyl,nonyl phenyl ketone,1-phenyl-1-decanone,acmc-209mkb |
| IUPAC Name | 1-phenyldecan-1-one |
| InChI Key | QQXJNLYVPPBERR-UHFFFAOYSA-N |
| Molecular Formula | C16H24O |
Acetoin (May exist as crystalline dimer) 98.0+%, TCI America™
CAS: 513-86-0 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00004521,MFCD00038696 InChI Key: ROWKJAVDOGWPAT-UHFFFAOYNA-N Synonym: acetoin,3-hydroxy-2-butanone,acetyl methyl carbinol,dimethylketol,2-butanone, 3-hydroxy,acetylmethylcarbinol,2,3-butanolone,2-hydroxy-3-butanone,1-hydroxyethyl methyl ketone,methanol, acetylmethyl PubChem CID: 179 ChEBI: CHEBI:15688 IUPAC Name: 3-hydroxybutan-2-one SMILES: CC(O)C(C)=O
| PubChem CID | 179 |
|---|---|
| CAS | 513-86-0 |
| Molecular Weight (g/mol) | 88.11 |
| ChEBI | CHEBI:15688 |
| MDL Number | MFCD00004521,MFCD00038696 |
| SMILES | CC(O)C(C)=O |
| Synonym | acetoin,3-hydroxy-2-butanone,acetyl methyl carbinol,dimethylketol,2-butanone, 3-hydroxy,acetylmethylcarbinol,2,3-butanolone,2-hydroxy-3-butanone,1-hydroxyethyl methyl ketone,methanol, acetylmethyl |
| IUPAC Name | 3-hydroxybutan-2-one |
| InChI Key | ROWKJAVDOGWPAT-UHFFFAOYNA-N |
| Molecular Formula | C4H8O2 |
Ethyl Acetoacetate 98.0+%, TCI America™
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
| 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 |
2-Naphthaldehyde 98.0+%, TCI America™
CAS: 66-99-9 Molecular Formula: C11H8O Molecular Weight (g/mol): 156.184 MDL Number: MFCD00004094 InChI Key: PJKVFARRVXDXAD-UHFFFAOYSA-N Synonym: 2-naphthaldehyde,2-naphthalenecarboxaldehyde,2-formylnaphthalene,beta-naphthaldehyde,beta-formylnaphthalene,beta-naphthylaldehyde,beta-naphthylcarboxaldehyde,.beta.-naphthaldehyde,.beta.-naphthylaldehyde,.beta.-formylnaphthalene PubChem CID: 6201 ChEBI: CHEBI:52368 IUPAC Name: naphthalene-2-carbaldehyde SMILES: C1=CC=C2C=C(C=CC2=C1)C=O
| PubChem CID | 6201 |
|---|---|
| CAS | 66-99-9 |
| Molecular Weight (g/mol) | 156.184 |
| ChEBI | CHEBI:52368 |
| MDL Number | MFCD00004094 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)C=O |
| Synonym | 2-naphthaldehyde,2-naphthalenecarboxaldehyde,2-formylnaphthalene,beta-naphthaldehyde,beta-formylnaphthalene,beta-naphthylaldehyde,beta-naphthylcarboxaldehyde,.beta.-naphthaldehyde,.beta.-naphthylaldehyde,.beta.-formylnaphthalene |
| IUPAC Name | naphthalene-2-carbaldehyde |
| InChI Key | PJKVFARRVXDXAD-UHFFFAOYSA-N |
| Molecular Formula | C11H8O |
Ketanserin 98.0+%, TCI America™
CAS: 74050-98-9 Molecular Formula: C22H22FN3O3 Molecular Weight (g/mol): 395.434 MDL Number: MFCD00083392 InChI Key: FPCCSQOGAWCVBH-UHFFFAOYSA-N Synonym: 3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-2,4(1H,3H)-quinazolinedione PubChem CID: 3822 ChEBI: CHEBI:6123 IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione SMILES: C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O
| PubChem CID | 3822 |
|---|---|
| CAS | 74050-98-9 |
| Molecular Weight (g/mol) | 395.434 |
| ChEBI | CHEBI:6123 |
| MDL Number | MFCD00083392 |
| SMILES | C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O |
| Synonym | 3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-2,4(1H,3H)-quinazolinedione |
| IUPAC Name | 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-1H-quinazoline-2,4-dione |
| InChI Key | FPCCSQOGAWCVBH-UHFFFAOYSA-N |
| Molecular Formula | C22H22FN3O3 |
4,4,4-Trifluoro-1-(4-methoxyphenyl)-1,3-butanedione 98.0+%, TCI America™
CAS: 15191-68-1 Molecular Formula: C11H9F3O3 Molecular Weight (g/mol): 246.185 MDL Number: MFCD03238723 InChI Key: NNEIYSHJFCLFES-UHFFFAOYSA-N Synonym: 4,4,4-trifluoro-1-4-methoxyphenyl butane-1,3-dione,4,4,4-trifluoro-1-4-methoxyphenyl-1,3-butanedione,2,4-butanedione, 1,1,1-trifluoro-4-4-methoxyphenyl,4-methoxybenzoyl-1,1,1-trifluoroacetone,1,3-butanedione,4,4,4-trifluoro-1-4-methoxyphenyl,tos-bb-0662,p-methoxybenzoyltrifluoroacetone,1-p-methoxybenzoyl-3,3,3-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-4-methoxyphenyl,1-4-methoxy-phenyl-4,4,4-trifluoro-butane-1,3-dione PubChem CID: 139903 IUPAC Name: 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione SMILES: COC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F
| PubChem CID | 139903 |
|---|---|
| CAS | 15191-68-1 |
| Molecular Weight (g/mol) | 246.185 |
| MDL Number | MFCD03238723 |
| SMILES | COC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F |
| Synonym | 4,4,4-trifluoro-1-4-methoxyphenyl butane-1,3-dione,4,4,4-trifluoro-1-4-methoxyphenyl-1,3-butanedione,2,4-butanedione, 1,1,1-trifluoro-4-4-methoxyphenyl,4-methoxybenzoyl-1,1,1-trifluoroacetone,1,3-butanedione,4,4,4-trifluoro-1-4-methoxyphenyl,tos-bb-0662,p-methoxybenzoyltrifluoroacetone,1-p-methoxybenzoyl-3,3,3-trifluoroacetone,1,3-butanedione, 4,4,4-trifluoro-1-4-methoxyphenyl,1-4-methoxy-phenyl-4,4,4-trifluoro-butane-1,3-dione |
| IUPAC Name | 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione |
| InChI Key | NNEIYSHJFCLFES-UHFFFAOYSA-N |
| Molecular Formula | C11H9F3O3 |
2-Hydroxy-2-methylpropiophenone 96.0+%, TCI America™
CAS: 7473-98-5 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00040710 InChI Key: XMLYCEVDHLAQEL-UHFFFAOYSA-N Synonym: 2-Benzoyl-2-propanol PubChem CID: 81984 IUPAC Name: 2-hydroxy-2-methyl-1-phenylpropan-1-one SMILES: CC(C)(C(=O)C1=CC=CC=C1)O
| PubChem CID | 81984 |
|---|---|
| CAS | 7473-98-5 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00040710 |
| SMILES | CC(C)(C(=O)C1=CC=CC=C1)O |
| Synonym | 2-Benzoyl-2-propanol |
| IUPAC Name | 2-hydroxy-2-methyl-1-phenylpropan-1-one |
| InChI Key | XMLYCEVDHLAQEL-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Syringaldehyde 98.0+%, TCI America™
CAS: 134-96-3 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00006943 InChI Key: KCDXJAYRVLXPFO-UHFFFAOYSA-N Synonym: syringaldehyde,3,5-dimethoxy-4-hydroxybenzaldehyde,syringic aldehyde,syringylaldehyde,syringealdehyde,benzaldehyde, 4-hydroxy-3,5-dimethoxy,gallaldehyde 3,5-dimethyl ether,3,5-dimethoxy-4-hydroxybenzene carbonal,4-hydroxy-3,5-dimethoxy-benzaldehyde,springaldehyde PubChem CID: 8655 ChEBI: CHEBI:67380 IUPAC Name: 4-hydroxy-3,5-dimethoxybenzaldehyde SMILES: COC1=CC(C=O)=CC(OC)=C1O
| PubChem CID | 8655 |
|---|---|
| CAS | 134-96-3 |
| Molecular Weight (g/mol) | 182.18 |
| ChEBI | CHEBI:67380 |
| MDL Number | MFCD00006943 |
| SMILES | COC1=CC(C=O)=CC(OC)=C1O |
| Synonym | syringaldehyde,3,5-dimethoxy-4-hydroxybenzaldehyde,syringic aldehyde,syringylaldehyde,syringealdehyde,benzaldehyde, 4-hydroxy-3,5-dimethoxy,gallaldehyde 3,5-dimethyl ether,3,5-dimethoxy-4-hydroxybenzene carbonal,4-hydroxy-3,5-dimethoxy-benzaldehyde,springaldehyde |
| IUPAC Name | 4-hydroxy-3,5-dimethoxybenzaldehyde |
| InChI Key | KCDXJAYRVLXPFO-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
Hydroxyacetone 80.0+%, TCI America™
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 |
2-Acetylpyridine 99.0+%, TCI America™
CAS: 1122-62-9 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD00006303 InChI Key: AJKVQEKCUACUMD-UHFFFAOYSA-N Synonym: 2-acetylpyridine,1-pyridin-2-yl ethanone,methyl 2-pyridyl ketone,2-acetopyridine,2-pyridyl methyl ketone,acetylpyridine,ethanone, 1-2-pyridinyl,ketone, methyl 2-pyridyl,1-pyridin-2-yl ethan-1-one,1-2-pyridinyl ethanone PubChem CID: 14286 IUPAC Name: 1-pyridin-2-ylethanone SMILES: CC(=O)C1=CC=CC=N1
| PubChem CID | 14286 |
|---|---|
| CAS | 1122-62-9 |
| Molecular Weight (g/mol) | 121.139 |
| MDL Number | MFCD00006303 |
| SMILES | CC(=O)C1=CC=CC=N1 |
| Synonym | 2-acetylpyridine,1-pyridin-2-yl ethanone,methyl 2-pyridyl ketone,2-acetopyridine,2-pyridyl methyl ketone,acetylpyridine,ethanone, 1-2-pyridinyl,ketone, methyl 2-pyridyl,1-pyridin-2-yl ethan-1-one,1-2-pyridinyl ethanone |
| IUPAC Name | 1-pyridin-2-ylethanone |
| InChI Key | AJKVQEKCUACUMD-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO |
n-Octanal 98.0+%, TCI America™
CAS: 124-13-0 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.22 MDL Number: MFCD00007029 InChI Key: NUJGJRNETVAIRJ-UHFFFAOYSA-N Synonym: caprylic aldehyde,caprylaldehyde,n-octanal,1-octanal,n-octyl aldehyde,n-octaldehyde,n-caprylaldehyde,octanaldehyde,aldehyde c-8,n-octylal PubChem CID: 454 ChEBI: CHEBI:17935 IUPAC Name: octanal SMILES: CCCCCCCC=O
| PubChem CID | 454 |
|---|---|
| CAS | 124-13-0 |
| Molecular Weight (g/mol) | 128.22 |
| ChEBI | CHEBI:17935 |
| MDL Number | MFCD00007029 |
| SMILES | CCCCCCCC=O |
| Synonym | caprylic aldehyde,caprylaldehyde,n-octanal,1-octanal,n-octyl aldehyde,n-octaldehyde,n-caprylaldehyde,octanaldehyde,aldehyde c-8,n-octylal |
| IUPAC Name | octanal |
| InChI Key | NUJGJRNETVAIRJ-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
2,2-Diethoxyacetophenone 95.0+%, TCI America™
CAS: 6175-45-7 Molecular Formula: C12H16O3 Molecular Weight (g/mol): 208.26 MDL Number: MFCD00009659 InChI Key: PIZHFBODNLEQBL-UHFFFAOYSA-N Synonym: 2,2-diethoxyacetophenone,ethanone, 2,2-diethoxy-1-phenyl,phenylglyoxal diethyl acetal,2,2-diethoxy-1-phenylethan-1-one,alpha,alpha-diethoxyacetophenone,unii-w4bcz1mak3,2,2-diethoxy acetophenone,ccris 5222,benzoylformaldehyde diethyl acetal,glyoxal, phenyl-, 2-diethyl acetal PubChem CID: 22555 IUPAC Name: 2,2-diethoxy-1-phenylethan-1-one SMILES: CCOC(OCC)C(=O)C1=CC=CC=C1
| PubChem CID | 22555 |
|---|---|
| CAS | 6175-45-7 |
| Molecular Weight (g/mol) | 208.26 |
| MDL Number | MFCD00009659 |
| SMILES | CCOC(OCC)C(=O)C1=CC=CC=C1 |
| Synonym | 2,2-diethoxyacetophenone,ethanone, 2,2-diethoxy-1-phenyl,phenylglyoxal diethyl acetal,2,2-diethoxy-1-phenylethan-1-one,alpha,alpha-diethoxyacetophenone,unii-w4bcz1mak3,2,2-diethoxy acetophenone,ccris 5222,benzoylformaldehyde diethyl acetal,glyoxal, phenyl-, 2-diethyl acetal |
| IUPAC Name | 2,2-diethoxy-1-phenylethan-1-one |
| InChI Key | PIZHFBODNLEQBL-UHFFFAOYSA-N |
| Molecular Formula | C12H16O3 |
6-Methoxy-2-naphthaldehyde 97.0+%, TCI America™
CAS: 3453-33-6 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00081152 InChI Key: VZBLASFLFFMMCM-UHFFFAOYSA-N Synonym: 6-methoxy-2-naphthaldehyde,6-methoxy-2-naphthalaldehyde,unii-9244l5l5zy,6-methoxy-naphthalene-2-carbaldehyde,2-naphthalenecarboxaldehyde, 6-methoxy,pubchem13704,acmc-1ah4r,6-methoxy-2-napthaldehyde,dsstox_cid_31510,dsstox_rid_97395 PubChem CID: 76991 IUPAC Name: 6-methoxynaphthalene-2-carbaldehyde SMILES: COC1=CC=C2C=C(C=O)C=CC2=C1
| PubChem CID | 76991 |
|---|---|
| CAS | 3453-33-6 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD00081152 |
| SMILES | COC1=CC=C2C=C(C=O)C=CC2=C1 |
| Synonym | 6-methoxy-2-naphthaldehyde,6-methoxy-2-naphthalaldehyde,unii-9244l5l5zy,6-methoxy-naphthalene-2-carbaldehyde,2-naphthalenecarboxaldehyde, 6-methoxy,pubchem13704,acmc-1ah4r,6-methoxy-2-napthaldehyde,dsstox_cid_31510,dsstox_rid_97395 |
| IUPAC Name | 6-methoxynaphthalene-2-carbaldehyde |
| InChI Key | VZBLASFLFFMMCM-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2 |
Sodium Anthraquinone-2-sulfonate Monohydrate 98.0+%, TCI America™
CAS: 153277-35-1 Molecular Formula: C14H7NaO5S Molecular Weight (g/mol): 310.25 MDL Number: MFCD00001229 InChI Key: GGCZERPQGJTIQP-UHFFFAOYSA-M Synonym: sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate hydrate,anthraquinone-2-sulfonic acid sodium salt monohydrate,sodium anthraquinone-2-sulfonate monohydrate,sodium 9,10-dioxoanthracene-2-sulfonate hydrate,9,10-anthraquinone-2-sulfonic acid sodium salt hydrate,anthraquinone-2-sulfonic acid, sodium salt, monohydrate,9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid sodium salt,acmc-209bkc,c14h8o5s.na.h2o,anthraquinone-2-sulfonic acid sodium salt hydrate PubChem CID: 23666331 IUPAC Name: sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate SMILES: [Na+].[O-]S(=O)(=O)C1=CC=C2C(=O)C3=CC=CC=C3C(=O)C2=C1
| PubChem CID | 23666331 |
|---|---|
| CAS | 153277-35-1 |
| Molecular Weight (g/mol) | 310.25 |
| MDL Number | MFCD00001229 |
| SMILES | [Na+].[O-]S(=O)(=O)C1=CC=C2C(=O)C3=CC=CC=C3C(=O)C2=C1 |
| Synonym | sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate hydrate,anthraquinone-2-sulfonic acid sodium salt monohydrate,sodium anthraquinone-2-sulfonate monohydrate,sodium 9,10-dioxoanthracene-2-sulfonate hydrate,9,10-anthraquinone-2-sulfonic acid sodium salt hydrate,anthraquinone-2-sulfonic acid, sodium salt, monohydrate,9,10-dihydro-9,10-dioxo-2-anthracenesulfonic acid sodium salt,acmc-209bkc,c14h8o5s.na.h2o,anthraquinone-2-sulfonic acid sodium salt hydrate |
| IUPAC Name | sodium 9,10-dioxo-9,10-dihydroanthracene-2-sulfonate |
| InChI Key | GGCZERPQGJTIQP-UHFFFAOYSA-M |
| Molecular Formula | C14H7NaO5S |
Undecanal 97.0+%, TCI America™
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
| 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 |