Carbonyl compounds
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2,5-Dimethyl-3-hexyne-2,5-diol 99.0+%, TCI America™
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CAS: 142-30-3 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00004468 InChI Key: IHJUECRFYCQBMW-UHFFFAOYSA-N Synonym: 2,5-dimethyl-3-hexyne-2,5-diol,dimethylhexynediol,kemitracin-50,tetramethylbutynediol,acetylenepinacol,3-hexyne-2,5-diol, 2,5-dimethyl,olfine y,tetramethyl-2-butynediol,unii-22rr53u71w,2,5-dimethylhexyne-2,5-diol PubChem CID: 8883 IUPAC Name: 2,5-dimethylhex-3-yne-2,5-diol SMILES: CC(C)(C#CC(C)(C)O)O
| PubChem CID | 8883 |
|---|---|
| CAS | 142-30-3 |
| Molecular Weight (g/mol) | 142.198 |
| MDL Number | MFCD00004468 |
| SMILES | CC(C)(C#CC(C)(C)O)O |
| Synonym | 2,5-dimethyl-3-hexyne-2,5-diol,dimethylhexynediol,kemitracin-50,tetramethylbutynediol,acetylenepinacol,3-hexyne-2,5-diol, 2,5-dimethyl,olfine y,tetramethyl-2-butynediol,unii-22rr53u71w,2,5-dimethylhexyne-2,5-diol |
| IUPAC Name | 2,5-dimethylhex-3-yne-2,5-diol |
| InChI Key | IHJUECRFYCQBMW-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
Bis(2,4-pentanedionato)calcium(II) 98.0+%, TCI America™
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CAS: 19372-44-2 Molecular Formula: C10H18CaO6 Molecular Weight (g/mol): 274.326 MDL Number: MFCD00013486 InChI Key: FTDUGYDPOWCKTD-VGKOASNMSA-L Synonym: Acetylacetone Calcium(II) Salt, Calcium(II) Acetylacetonate PubChem CID: 131675864 IUPAC Name: calcium;(Z)-4-oxopent-2-en-2-olate;dihydrate SMILES: CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].O.O.[Ca+2]
| PubChem CID | 131675864 |
|---|---|
| CAS | 19372-44-2 |
| Molecular Weight (g/mol) | 274.326 |
| MDL Number | MFCD00013486 |
| SMILES | CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].O.O.[Ca+2] |
| Synonym | Acetylacetone Calcium(II) Salt, Calcium(II) Acetylacetonate |
| IUPAC Name | calcium;(Z)-4-oxopent-2-en-2-olate;dihydrate |
| InChI Key | FTDUGYDPOWCKTD-VGKOASNMSA-L |
| Molecular Formula | C10H18CaO6 |
2',4',6'-Trimethylacetophenone 97.0+%, TCI America™
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CAS: 1667-01-2 Molecular Formula: C11H14O Molecular Weight (g/mol): 162.23 MDL Number: MFCD00008735 InChI Key: XWCIICLTKWRWCI-UHFFFAOYSA-N Synonym: 1-mesitylethanone,2',4',6'-trimethylacetophenone,acetylmesitylene,acetomesitylene,mesityl methyl ketone,1-2,4,6-trimethylphenyl ethanone,ethanone, 1-2,4,6-trimethylphenyl,2-acetylmesitylene,2,4,6-trimethylacetophenone,methyl 2,4,6-trimethylphenyl ketone PubChem CID: 15461 IUPAC Name: 1-(2,4,6-trimethylphenyl)ethan-1-one SMILES: CC(=O)C1=C(C)C=C(C)C=C1C
| PubChem CID | 15461 |
|---|---|
| CAS | 1667-01-2 |
| Molecular Weight (g/mol) | 162.23 |
| MDL Number | MFCD00008735 |
| SMILES | CC(=O)C1=C(C)C=C(C)C=C1C |
| Synonym | 1-mesitylethanone,2',4',6'-trimethylacetophenone,acetylmesitylene,acetomesitylene,mesityl methyl ketone,1-2,4,6-trimethylphenyl ethanone,ethanone, 1-2,4,6-trimethylphenyl,2-acetylmesitylene,2,4,6-trimethylacetophenone,methyl 2,4,6-trimethylphenyl ketone |
| IUPAC Name | 1-(2,4,6-trimethylphenyl)ethan-1-one |
| InChI Key | XWCIICLTKWRWCI-UHFFFAOYSA-N |
| Molecular Formula | C11H14O |
Alizarin 95.0+%, TCI America™
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CAS: 72-48-0 Molecular Formula: C14H8O4 Molecular Weight (g/mol): 240.214 MDL Number: MFCD00001201 InChI Key: RGCKGOZRHPZPFP-UHFFFAOYSA-N Synonym: alizarin,alizarin red,mordant red 11,1,2-dihydroxyanthraquinone,alizarin b,turkey red,1,2-anthraquinonediol,alizarine,alizarina,alizarine red PubChem CID: 6293 ChEBI: CHEBI:16866 IUPAC Name: 1,2-dihydroxyanthracene-9,10-dione SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O
| PubChem CID | 6293 |
|---|---|
| CAS | 72-48-0 |
| Molecular Weight (g/mol) | 240.214 |
| ChEBI | CHEBI:16866 |
| MDL Number | MFCD00001201 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O |
| Synonym | alizarin,alizarin red,mordant red 11,1,2-dihydroxyanthraquinone,alizarin b,turkey red,1,2-anthraquinonediol,alizarine,alizarina,alizarine red |
| IUPAC Name | 1,2-dihydroxyanthracene-9,10-dione |
| InChI Key | RGCKGOZRHPZPFP-UHFFFAOYSA-N |
| Molecular Formula | C14H8O4 |
Ethyl Benzoylacetate 95.0+%, TCI America™
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CAS: 94-02-0 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00009196 InChI Key: GKKZMYDNDDMXSE-UHFFFAOYSA-N Synonym: ethyl benzoylacetate,benzoylacetic acid ethyl ester,ethyl benzoyl acetate,acetic acid, benzoyl-, ethyl ester,ethyl beta-oxobenzenepropanoate,ethylbenzoylacetate,benzoylacetic acid, ethyl ester,ethyl 3-phenyl-3-oxopropanoate,benzenepropanoic acid, beta-oxo-, ethyl ester,ethyl 3-oxo-3-phenylpropionate PubChem CID: 7170 IUPAC Name: ethyl 3-oxo-3-phenylpropanoate SMILES: CCOC(=O)CC(=O)C1=CC=CC=C1
| PubChem CID | 7170 |
|---|---|
| CAS | 94-02-0 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00009196 |
| SMILES | CCOC(=O)CC(=O)C1=CC=CC=C1 |
| Synonym | ethyl benzoylacetate,benzoylacetic acid ethyl ester,ethyl benzoyl acetate,acetic acid, benzoyl-, ethyl ester,ethyl beta-oxobenzenepropanoate,ethylbenzoylacetate,benzoylacetic acid, ethyl ester,ethyl 3-phenyl-3-oxopropanoate,benzenepropanoic acid, beta-oxo-, ethyl ester,ethyl 3-oxo-3-phenylpropionate |
| IUPAC Name | ethyl 3-oxo-3-phenylpropanoate |
| InChI Key | GKKZMYDNDDMXSE-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
Tiaprofenic Acid 98.0+%, TCI America™
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CAS: 33005-95-7 Molecular Formula: C14H12O3S Molecular Weight (g/mol): 260.31 MDL Number: MFCD00866089 InChI Key: GUHPRPJDBZHYCJ-UHFFFAOYNA-N Synonym: 2-(5-Benzoylthiophen-2-yl)propionic Acid PubChem CID: 5468 ChEBI: CHEBI:32221 IUPAC Name: 2-(5-benzoylthiophen-2-yl)propanoic acid SMILES: CC(C(O)=O)C1=CC=C(S1)C(=O)C1=CC=CC=C1
| PubChem CID | 5468 |
|---|---|
| CAS | 33005-95-7 |
| Molecular Weight (g/mol) | 260.31 |
| ChEBI | CHEBI:32221 |
| MDL Number | MFCD00866089 |
| SMILES | CC(C(O)=O)C1=CC=C(S1)C(=O)C1=CC=CC=C1 |
| Synonym | 2-(5-Benzoylthiophen-2-yl)propionic Acid |
| IUPAC Name | 2-(5-benzoylthiophen-2-yl)propanoic acid |
| InChI Key | GUHPRPJDBZHYCJ-UHFFFAOYNA-N |
| Molecular Formula | C14H12O3S |
3,4,5-Tris(dodecyloxy)benzaldehyde 98.0+%, TCI America™
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CAS: 117241-32-4 Molecular Formula: C43H78O4 Molecular Weight (g/mol): 659.093 MDL Number: MFCD29917550 InChI Key: ABDPYSIFPMBTOS-UHFFFAOYSA-N PubChem CID: 14196731 IUPAC Name: 3,4,5-tridodecoxybenzaldehyde SMILES: CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C=O
| PubChem CID | 14196731 |
|---|---|
| CAS | 117241-32-4 |
| Molecular Weight (g/mol) | 659.093 |
| MDL Number | MFCD29917550 |
| SMILES | CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)C=O |
| IUPAC Name | 3,4,5-tridodecoxybenzaldehyde |
| InChI Key | ABDPYSIFPMBTOS-UHFFFAOYSA-N |
| Molecular Formula | C43H78O4 |
4-Bromosalicylaldehyde 98.0+%, TCI America™
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CAS: 22532-62-3 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.019 MDL Number: MFCD06252606 InChI Key: HXTWKHXDFATMSP-UHFFFAOYSA-N Synonym: 4-bromosalicylaldehyde,4-bromo-2-hydroxy-benzaldehyde,2-hydroxy-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2-hydroxy,4-bromo-2-hydroxybenzaldheyde,4-bromosalicyladehyde,pubchem16944,acmc-1cq5t,intermediates-zcf02605,4-bromo-2-hydroxybenaldehyde PubChem CID: 4066019 IUPAC Name: 4-bromo-2-hydroxybenzaldehyde SMILES: C1=CC(=C(C=C1Br)O)C=O
| PubChem CID | 4066019 |
|---|---|
| CAS | 22532-62-3 |
| Molecular Weight (g/mol) | 201.019 |
| MDL Number | MFCD06252606 |
| SMILES | C1=CC(=C(C=C1Br)O)C=O |
| Synonym | 4-bromosalicylaldehyde,4-bromo-2-hydroxy-benzaldehyde,2-hydroxy-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2-hydroxy,4-bromo-2-hydroxybenzaldheyde,4-bromosalicyladehyde,pubchem16944,acmc-1cq5t,intermediates-zcf02605,4-bromo-2-hydroxybenaldehyde |
| IUPAC Name | 4-bromo-2-hydroxybenzaldehyde |
| InChI Key | HXTWKHXDFATMSP-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO2 |
2-Bromo-4'-fluoro-3'-(trifluoromethyl)acetophenone 98.0+%, TCI America™
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CAS: 537050-14-9 Molecular Formula: C9H5BrF4O Molecular Weight (g/mol): 285.036 MDL Number: MFCD03094509 InChI Key: BUNOSKWLVXNWEH-UHFFFAOYSA-N Synonym: 4-fluoro-3-trifluoromethyl phenacyl bromide,2-bromo-1-4-fluoro-3-trifluoromethyl phenyl ethanone,4-fluoro-3-trifluoromethyl phenacylbromid,4-fluoro-3-trifluoromethyl phenacyl bromid,2-bromo-1-4-fluoro-3-trifluoromethyl phenyl ethan-1-one,2-bromo-4'-fluoro-3'-trifluoromethyl acetophenone,4-fluoro-3-trifluoromethyl phenacylbromide,2-bromo-4'-fluoro-3'-trifluoromethylacetophenone,acmc-209l9v PubChem CID: 2778787 IUPAC Name: 2-bromo-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone SMILES: C1=CC(=C(C=C1C(=O)CBr)C(F)(F)F)F
| PubChem CID | 2778787 |
|---|---|
| CAS | 537050-14-9 |
| Molecular Weight (g/mol) | 285.036 |
| MDL Number | MFCD03094509 |
| SMILES | C1=CC(=C(C=C1C(=O)CBr)C(F)(F)F)F |
| Synonym | 4-fluoro-3-trifluoromethyl phenacyl bromide,2-bromo-1-4-fluoro-3-trifluoromethyl phenyl ethanone,4-fluoro-3-trifluoromethyl phenacylbromid,4-fluoro-3-trifluoromethyl phenacyl bromid,2-bromo-1-4-fluoro-3-trifluoromethyl phenyl ethan-1-one,2-bromo-4'-fluoro-3'-trifluoromethyl acetophenone,4-fluoro-3-trifluoromethyl phenacylbromide,2-bromo-4'-fluoro-3'-trifluoromethylacetophenone,acmc-209l9v |
| IUPAC Name | 2-bromo-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone |
| InChI Key | BUNOSKWLVXNWEH-UHFFFAOYSA-N |
| Molecular Formula | C9H5BrF4O |
3',5'-Dichloro-2,2,2-trifluoroacetophenone 96.0+%, TCI America™
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CAS: 130336-16-2 Molecular Formula: C8H3Cl2F3O Molecular Weight (g/mol): 243.006 MDL Number: MFCD01319996 InChI Key: DZDSQRPDUCSOQV-UHFFFAOYSA-N PubChem CID: 2758231 IUPAC Name: 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone SMILES: C1=C(C=C(C=C1Cl)Cl)C(=O)C(F)(F)F
| PubChem CID | 2758231 |
|---|---|
| CAS | 130336-16-2 |
| Molecular Weight (g/mol) | 243.006 |
| MDL Number | MFCD01319996 |
| SMILES | C1=C(C=C(C=C1Cl)Cl)C(=O)C(F)(F)F |
| IUPAC Name | 1-(3,5-dichlorophenyl)-2,2,2-trifluoroethanone |
| InChI Key | DZDSQRPDUCSOQV-UHFFFAOYSA-N |
| Molecular Formula | C8H3Cl2F3O |
L-Tagatose 98.0+%, TCI America™
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CAS: 17598-82-2 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 InChI Key: BJHIKXHVCXFQLS-LFRDXLMFSA-N PubChem CID: 10965117 IUPAC Name: (3R,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O
| PubChem CID | 10965117 |
|---|---|
| CAS | 17598-82-2 |
| Molecular Weight (g/mol) | 180.156 |
| SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
| IUPAC Name | (3R,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one |
| InChI Key | BJHIKXHVCXFQLS-LFRDXLMFSA-N |
| Molecular Formula | C6H12O6 |
5'-Chloro-2'-hydroxy-4'-methylacetophenone 95.0+%, TCI America™
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CAS: 28480-70-8 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00191920 InChI Key: HDUSGGZSLVCDKY-UHFFFAOYSA-N Synonym: 4-Acetyl-2-chloro-5-hydroxytoluene, 2-Acetyl-4-chloro-5-methylphenol PubChem CID: 598229 IUPAC Name: 1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone SMILES: CC1=C(C=C(C(=C1)O)C(=O)C)Cl
| PubChem CID | 598229 |
|---|---|
| CAS | 28480-70-8 |
| Molecular Weight (g/mol) | 184.619 |
| MDL Number | MFCD00191920 |
| SMILES | CC1=C(C=C(C(=C1)O)C(=O)C)Cl |
| Synonym | 4-Acetyl-2-chloro-5-hydroxytoluene, 2-Acetyl-4-chloro-5-methylphenol |
| IUPAC Name | 1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone |
| InChI Key | HDUSGGZSLVCDKY-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO2 |
Octadecanal 95.0+%, TCI America™
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CAS: 638-66-4 Molecular Formula: C18H36O Molecular Weight (g/mol): 268.485 InChI Key: FWWQKRXKHIRPJY-UHFFFAOYSA-N Synonym: Octadecanaldehyde, Octadecyl Aldehyde, Stearaldehyde, Stearyl Aldehyde PubChem CID: 12533 ChEBI: CHEBI:17034 IUPAC Name: octadecanal SMILES: CCCCCCCCCCCCCCCCCC=O
| PubChem CID | 12533 |
|---|---|
| CAS | 638-66-4 |
| Molecular Weight (g/mol) | 268.485 |
| ChEBI | CHEBI:17034 |
| SMILES | CCCCCCCCCCCCCCCCCC=O |
| Synonym | Octadecanaldehyde, Octadecyl Aldehyde, Stearaldehyde, Stearyl Aldehyde |
| IUPAC Name | octadecanal |
| InChI Key | FWWQKRXKHIRPJY-UHFFFAOYSA-N |
| Molecular Formula | C18H36O |
Ethyl Trifluoropyruvate 98.0+%, TCI America™
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CAS: 13081-18-0 Molecular Formula: C5H5F3O3 Molecular Weight (g/mol): 170.09 MDL Number: MFCD00114935 InChI Key: KJHQVUNUOIEYSV-UHFFFAOYSA-N Synonym: ethyl trifluoropyruvate,ethyltrifluoropyruvate,ethyl 3,3,3-trifluoropyruvate,trifluoropyruvic acid ethyl ester,propanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl ester,ethyl 2-oxo-3,3,3-trifluoropropanoate,3,3,3-trifluoro-2-oxopropanoic acid ethyl ester,ethyl trifluorpyruvate,ethyl-trifluoropyruvate,pubchem2013 PubChem CID: 2737239 IUPAC Name: ethyl 3,3,3-trifluoro-2-oxopropanoate SMILES: CCOC(=O)C(=O)C(F)(F)F
| PubChem CID | 2737239 |
|---|---|
| CAS | 13081-18-0 |
| Molecular Weight (g/mol) | 170.09 |
| MDL Number | MFCD00114935 |
| SMILES | CCOC(=O)C(=O)C(F)(F)F |
| Synonym | ethyl trifluoropyruvate,ethyltrifluoropyruvate,ethyl 3,3,3-trifluoropyruvate,trifluoropyruvic acid ethyl ester,propanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl ester,ethyl 2-oxo-3,3,3-trifluoropropanoate,3,3,3-trifluoro-2-oxopropanoic acid ethyl ester,ethyl trifluorpyruvate,ethyl-trifluoropyruvate,pubchem2013 |
| IUPAC Name | ethyl 3,3,3-trifluoro-2-oxopropanoate |
| InChI Key | KJHQVUNUOIEYSV-UHFFFAOYSA-N |
| Molecular Formula | C5H5F3O3 |
2'-Hydroxy-4'-methoxypropiophenone 98.0+%, TCI America™
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CAS: 6270-44-6 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD04037453 InChI Key: MAKZPFSTXDXNJN-UHFFFAOYSA-N PubChem CID: 234836 IUPAC Name: 1-(2-hydroxy-4-methoxyphenyl)propan-1-one SMILES: CCC(=O)C1=CC=C(OC)C=C1O
| PubChem CID | 234836 |
|---|---|
| CAS | 6270-44-6 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD04037453 |
| SMILES | CCC(=O)C1=CC=C(OC)C=C1O |
| IUPAC Name | 1-(2-hydroxy-4-methoxyphenyl)propan-1-one |
| InChI Key | MAKZPFSTXDXNJN-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |