Organooxygen compounds
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Ethyl 4,4,4-trifluoro-2-methylacetoacetate, 96%
CAS: 344-00-3 Molecular Formula: C7H9F3O3 Molecular Weight (g/mol): 198.141 MDL Number: MFCD00190635 InChI Key: YLRGPBKEZVHOAW-UHFFFAOYSA-N Synonym: ethyl 2-methyl-4,4,4-trifluoroacetoacetate,butanoic acid, 4,4,4-trifluoro-2-methyl-3-oxo-, ethyl ester,zlchem 125,acmc-20al0w,ethyl 2-methyltrifluoroacetoacetate,ethyl 2-methyl-4,4,4-trifluoro acetoacetate,ethyl alpha-methyl-4,4,4-trifluoroacetoacetate,ethyl4,4,4-trifluoro-2-methyl-3-oxobutanoate,ethyl 3-keto-2-methyl-4,4,4-trifluorobutanoate,ethyl 4,4,4-trifluoro-2-methyl-3-oxo-butanoate PubChem CID: 2737204 IUPAC Name: ethyl 4,4,4-trifluoro-2-methyl-3-oxobutanoate SMILES: CCOC(=O)C(C)C(=O)C(F)(F)F
| PubChem CID | 2737204 |
|---|---|
| CAS | 344-00-3 |
| Molecular Weight (g/mol) | 198.141 |
| MDL Number | MFCD00190635 |
| SMILES | CCOC(=O)C(C)C(=O)C(F)(F)F |
| Synonym | ethyl 2-methyl-4,4,4-trifluoroacetoacetate,butanoic acid, 4,4,4-trifluoro-2-methyl-3-oxo-, ethyl ester,zlchem 125,acmc-20al0w,ethyl 2-methyltrifluoroacetoacetate,ethyl 2-methyl-4,4,4-trifluoro acetoacetate,ethyl alpha-methyl-4,4,4-trifluoroacetoacetate,ethyl4,4,4-trifluoro-2-methyl-3-oxobutanoate,ethyl 3-keto-2-methyl-4,4,4-trifluorobutanoate,ethyl 4,4,4-trifluoro-2-methyl-3-oxo-butanoate |
| IUPAC Name | ethyl 4,4,4-trifluoro-2-methyl-3-oxobutanoate |
| InChI Key | YLRGPBKEZVHOAW-UHFFFAOYSA-N |
| Molecular Formula | C7H9F3O3 |
Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)iron(III), recrystallized, 99.9% (metals basis)
CAS: 14876-47-2 Molecular Formula: C33H60FeO6 Molecular Weight (g/mol): 608.682 MDL Number: MFCD00067465 InChI Key: WLITYJBILWOYFF-QFVJJVGWSA-N Synonym: fe tmhd 3 PubChem CID: 15251600 IUPAC Name: (E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iron SMILES: CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.[Fe]
| PubChem CID | 15251600 |
|---|---|
| CAS | 14876-47-2 |
| Molecular Weight (g/mol) | 608.682 |
| MDL Number | MFCD00067465 |
| SMILES | CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.CC(C)(C)C(=CC(=O)C(C)(C)C)O.[Fe] |
| Synonym | fe tmhd 3 |
| IUPAC Name | (E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iron |
| InChI Key | WLITYJBILWOYFF-QFVJJVGWSA-N |
| Molecular Formula | C33H60FeO6 |
MilliporeSigma™ Phorbol-12,13-dibutyrate, Calbiochem™,
CAS: 37558-16-0 Molecular Formula: C28H40O8 Molecular Weight (g/mol): 504.62 InChI Key: BQJRUJTZSGYBEZ-YVQNUNKESA-N Synonym: phorbol 12,13-dibutyrate,pdbu,phorbol dibutyrate,phorbol 12,13-dibutanoate,phorbol-12,13-dibutyrate,unii-67mx82cl58,chembl27768,1ar,1bs,4ar,7as,7bs,8r,9r,9as-4a,7b-dihydroxy-3-hydroxymethyl-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9ah-cyclopropa 3,4 benzo 1,2-e azulene-9,9a-diyl dibutanoate,butanoic acid, 1ar,1bs,4ar,7as,7bs,8r,9r,9as-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-hydroxymethyl-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa 3,4 benz 1,2-e azulene-9,9a-diyl ester,butanoic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-hydroxymethyl-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa 3,4 benz 1,2-e azulene-9,9a-diyl ester, 1ar-1a-alpha,1b-beta,4a-beta,7a-alpha,7b-alpha,8-alpha,9-beta,9a-alpha PubChem CID: 37783 ChEBI: CHEBI:17598 SMILES: CCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)CCC)O)C
| PubChem CID | 37783 |
|---|---|
| CAS | 37558-16-0 |
| Molecular Weight (g/mol) | 504.62 |
| ChEBI | CHEBI:17598 |
| SMILES | CCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)CCC)O)C |
| Synonym | phorbol 12,13-dibutyrate,pdbu,phorbol dibutyrate,phorbol 12,13-dibutanoate,phorbol-12,13-dibutyrate,unii-67mx82cl58,chembl27768,1ar,1bs,4ar,7as,7bs,8r,9r,9as-4a,7b-dihydroxy-3-hydroxymethyl-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9ah-cyclopropa 3,4 benzo 1,2-e azulene-9,9a-diyl dibutanoate,butanoic acid, 1ar,1bs,4ar,7as,7bs,8r,9r,9as-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-hydroxymethyl-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa 3,4 benz 1,2-e azulene-9,9a-diyl ester,butanoic acid, 1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-4a,7b-dihydroxy-3-hydroxymethyl-1,1,6,8-tetramethyl-5-oxo-9ah-cyclopropa 3,4 benz 1,2-e azulene-9,9a-diyl ester, 1ar-1a-alpha,1b-beta,4a-beta,7a-alpha,7b-alpha,8-alpha,9-beta,9a-alpha |
| InChI Key | BQJRUJTZSGYBEZ-YVQNUNKESA-N |
| Molecular Formula | C28H40O8 |
2-Quinoxalinecarbaldehyde, 97+%, Thermo Scientific™
CAS: 1593-08-4 Molecular Formula: C9H6N2O Molecular Weight (g/mol): 158.16 MDL Number: MFCD00272280 InChI Key: UJEHWLFUEQHEEZ-UHFFFAOYSA-N Synonym: 2-formylquinoxaline,2-quinoxalinecarbaldehyde,2-quinoxalinecarboxaldehyde,quinoxaline-2-carboxaldehyde,chinoxalin-2-aldehyd,pubchem21935,rarechem ak ml 0126,art-chem-bb b000386,quinoxalin-2-carboxaldehyde,2-quinoxaline-carboxaldehyde PubChem CID: 594088 IUPAC Name: quinoxaline-2-carbaldehyde SMILES: O=CC1=CN=C2C=CC=CC2=N1
| PubChem CID | 594088 |
|---|---|
| CAS | 1593-08-4 |
| Molecular Weight (g/mol) | 158.16 |
| MDL Number | MFCD00272280 |
| SMILES | O=CC1=CN=C2C=CC=CC2=N1 |
| Synonym | 2-formylquinoxaline,2-quinoxalinecarbaldehyde,2-quinoxalinecarboxaldehyde,quinoxaline-2-carboxaldehyde,chinoxalin-2-aldehyd,pubchem21935,rarechem ak ml 0126,art-chem-bb b000386,quinoxalin-2-carboxaldehyde,2-quinoxaline-carboxaldehyde |
| IUPAC Name | quinoxaline-2-carbaldehyde |
| InChI Key | UJEHWLFUEQHEEZ-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O |
1-Octen-3-one, 97%, stab. with 0.1% BHA
CAS: 4312-99-6 Molecular Formula: C8H14O Molecular Weight (g/mol): 126.199 MDL Number: MFCD00036558 InChI Key: KLTVSWGXIAYTHO-UHFFFAOYSA-N Synonym: 1-octen-3-one,vinyl amyl ketone,amyl vinyl ketone,pentyl vinyl ketone,unii-7lt7z4q9xr,1-octene-3-one,fema no. 3515,7lt7z4q9xr,n-pentyl vinyl ketone,octen-3-one, 1 PubChem CID: 61346 IUPAC Name: oct-1-en-3-one SMILES: CCCCCC(=O)C=C
| PubChem CID | 61346 |
|---|---|
| CAS | 4312-99-6 |
| Molecular Weight (g/mol) | 126.199 |
| MDL Number | MFCD00036558 |
| SMILES | CCCCCC(=O)C=C |
| Synonym | 1-octen-3-one,vinyl amyl ketone,amyl vinyl ketone,pentyl vinyl ketone,unii-7lt7z4q9xr,1-octene-3-one,fema no. 3515,7lt7z4q9xr,n-pentyl vinyl ketone,octen-3-one, 1 |
| IUPAC Name | oct-1-en-3-one |
| InChI Key | KLTVSWGXIAYTHO-UHFFFAOYSA-N |
| Molecular Formula | C8H14O |
5-Fluorosalicylaldehyde, 98+%
CAS: 347-54-6 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.113 MDL Number: MFCD01090997 InChI Key: FDUBQNUDZOGOFE-UHFFFAOYSA-N Synonym: 5-fluorosalicylaldehyde,5-fluoro-2-hydroxy-benzaldehyde,benzaldehyde, 5-fluoro-2-hydroxy,5-fluoro-2-hydroxy benzaldehyde,pubchem1444,5-fluoro salicylaldehyde,5-?fluorosalicylaldehyde,acmc-209ia4,ksc492m4t,pharmabridge p-2996 PubChem CID: 2737328 IUPAC Name: 5-fluoro-2-hydroxybenzaldehyde SMILES: C1=CC(=C(C=C1F)C=O)O
| PubChem CID | 2737328 |
|---|---|
| CAS | 347-54-6 |
| Molecular Weight (g/mol) | 140.113 |
| MDL Number | MFCD01090997 |
| SMILES | C1=CC(=C(C=C1F)C=O)O |
| Synonym | 5-fluorosalicylaldehyde,5-fluoro-2-hydroxy-benzaldehyde,benzaldehyde, 5-fluoro-2-hydroxy,5-fluoro-2-hydroxy benzaldehyde,pubchem1444,5-fluoro salicylaldehyde,5-?fluorosalicylaldehyde,acmc-209ia4,ksc492m4t,pharmabridge p-2996 |
| IUPAC Name | 5-fluoro-2-hydroxybenzaldehyde |
| InChI Key | FDUBQNUDZOGOFE-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO2 |
4-Bromocrotonic acid benzoylmethyl ester, 97%, Thermo Scientific Chemicals
CAS: 154561-38-3 Molecular Formula: C12H11BrO3 Molecular Weight (g/mol): 283.12 MDL Number: MFCD00236054 InChI Key: JARTYZWEUJDLPS-UHFFFAOYSA-N Synonym: 2-oxo-2-phenylethyl 4-bromobut-2-enoate,acmc-20ajxj,2-butenoic acid,4-bromo-, 2-oxo-2-phenylethyl ester PubChem CID: 53412107 IUPAC Name: phenacyl 4-bromobut-2-enoate SMILES: BrCC=CC(=O)OCC(=O)C1=CC=CC=C1
| PubChem CID | 53412107 |
|---|---|
| CAS | 154561-38-3 |
| Molecular Weight (g/mol) | 283.12 |
| MDL Number | MFCD00236054 |
| SMILES | BrCC=CC(=O)OCC(=O)C1=CC=CC=C1 |
| Synonym | 2-oxo-2-phenylethyl 4-bromobut-2-enoate,acmc-20ajxj,2-butenoic acid,4-bromo-, 2-oxo-2-phenylethyl ester |
| IUPAC Name | phenacyl 4-bromobut-2-enoate |
| InChI Key | JARTYZWEUJDLPS-UHFFFAOYSA-N |
| Molecular Formula | C12H11BrO3 |
| CAS | 2378-02-1 |
|---|---|
| MDL Number | MFCD00042092 |
Oleyl alcohol, tech. 80-85%, Thermo Scientific Chemicals
CAS: 143-28-2 Molecular Formula: C18H36O Molecular Weight (g/mol): 268.49 MDL Number: MFCD00002993 InChI Key: ALSTYHKOOCGGFT-KTKRTIGZSA-N Synonym: oleyl alcohol,cis-9-octadecen-1-ol,z-octadec-9-en-1-ol,ocenol,conditioner 1,dermaffine,lancol,novol,oceol,oleol PubChem CID: 5284499 ChEBI: CHEBI:73504 IUPAC Name: (9Z)-octadec-9-en-1-ol SMILES: CCCCCCCC\C=C/CCCCCCCCO
| PubChem CID | 5284499 |
|---|---|
| CAS | 143-28-2 |
| Molecular Weight (g/mol) | 268.49 |
| ChEBI | CHEBI:73504 |
| MDL Number | MFCD00002993 |
| SMILES | CCCCCCCC\C=C/CCCCCCCCO |
| Synonym | oleyl alcohol,cis-9-octadecen-1-ol,z-octadec-9-en-1-ol,ocenol,conditioner 1,dermaffine,lancol,novol,oceol,oleol |
| IUPAC Name | (9Z)-octadec-9-en-1-ol |
| InChI Key | ALSTYHKOOCGGFT-KTKRTIGZSA-N |
| Molecular Formula | C18H36O |
Ascorbyl Palmitate, NF, 95-100.5%, Spectrum™ Chemical
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CAS: 137-66-6 Molecular Formula: C22H38O7 Molecular Weight (g/mol): 414.54 MDL Number: MFCD00005377 InChI Key: NULLRXHRYOXSEW-UHFFFAOYNA-N IUPAC Name: 2-(4,5-dihydroxy-3-oxo-2,3-dihydrofuran-2-yl)-2-hydroxyethyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O
| CAS | 137-66-6 |
|---|---|
| Molecular Weight (g/mol) | 414.54 |
| MDL Number | MFCD00005377 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(O)=C(O)C1=O |
| IUPAC Name | 2-(4,5-dihydroxy-3-oxo-2,3-dihydrofuran-2-yl)-2-hydroxyethyl hexadecanoate |
| InChI Key | NULLRXHRYOXSEW-UHFFFAOYNA-N |
| Molecular Formula | C22H38O7 |
2,4-Pentanedione, Reagent, 99%, Spectrum™ Chemical
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CAS: 123-54-6 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00008787 InChI Key: YRKCREAYFQTBPV-UHFFFAOYSA-N IUPAC Name: pentane-2,4-dione SMILES: CC(=O)CC(C)=O
| CAS | 123-54-6 |
|---|---|
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00008787 |
| SMILES | CC(=O)CC(C)=O |
| IUPAC Name | pentane-2,4-dione |
| InChI Key | YRKCREAYFQTBPV-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
2-Bromo-1-(4-chloro-3-nitrophenyl)ethan-1-one, Technical Grade, Thermo Scientific™
CAS: 22019-49-4 Molecular Formula: C8H5BrClNO3 Molecular Weight (g/mol): 278.486 InChI Key: FXNQTMRPLLNPQY-UHFFFAOYSA-N PubChem CID: 2778330 IUPAC Name: 2-bromo-1-(4-chloro-3-nitrophenyl)ethanone SMILES: C1=CC(=C(C=C1C(=O)CBr)[N+](=O)[O-])Cl
| PubChem CID | 2778330 |
|---|---|
| CAS | 22019-49-4 |
| Molecular Weight (g/mol) | 278.486 |
| SMILES | C1=CC(=C(C=C1C(=O)CBr)[N+](=O)[O-])Cl |
| IUPAC Name | 2-bromo-1-(4-chloro-3-nitrophenyl)ethanone |
| InChI Key | FXNQTMRPLLNPQY-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrClNO3 |
7-Iodo-3,4-dihydro-2H-1,5-benzodioxepine, 97%, Thermo Scientific™
CAS: 306934-90-7 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.073 MDL Number: MFCD02677706 InChI Key: CIZHAPZOOAJDCN-UHFFFAOYSA-N Synonym: 7-iodo-3,4-dihydro-2h-benzo b 1,4 dioxepine,2h-1,5-benzodioxepin,3,4-dihydro-7-iodo PubChem CID: 2776396 IUPAC Name: 7-iodo-3,4-dihydro-2H-1,5-benzodioxepine SMILES: C1COC2=C(C=C(C=C2)I)OC1
| PubChem CID | 2776396 |
|---|---|
| CAS | 306934-90-7 |
| Molecular Weight (g/mol) | 276.073 |
| MDL Number | MFCD02677706 |
| SMILES | C1COC2=C(C=C(C=C2)I)OC1 |
| Synonym | 7-iodo-3,4-dihydro-2h-benzo b 1,4 dioxepine,2h-1,5-benzodioxepin,3,4-dihydro-7-iodo |
| IUPAC Name | 7-iodo-3,4-dihydro-2H-1,5-benzodioxepine |
| InChI Key | CIZHAPZOOAJDCN-UHFFFAOYSA-N |
| Molecular Formula | C9H9IO2 |
4'-Acetoxyacetophenone, 99%
CAS: 13031-43-1 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00017229 InChI Key: SMIOEQSLJNNKQF-UHFFFAOYSA-N Synonym: 4'-acetoxyacetophenone,p-acetoxyacetophenone,4-acetoxyacetophenone,p-acetylphenyl acetate,4-acetylphenyl acetate,unii-eo1xk390jf,ethanone, 1-4-acetyloxy phenyl,4-acetoxy acetophenone,4-acetoxy-acetophenone,eo1xk390jf PubChem CID: 83063 ChEBI: CHEBI:86558 IUPAC Name: (4-acetylphenyl) acetate SMILES: CC(=O)OC1=CC=C(C=C1)C(C)=O
| PubChem CID | 83063 |
|---|---|
| CAS | 13031-43-1 |
| Molecular Weight (g/mol) | 178.19 |
| ChEBI | CHEBI:86558 |
| MDL Number | MFCD00017229 |
| SMILES | CC(=O)OC1=CC=C(C=C1)C(C)=O |
| Synonym | 4'-acetoxyacetophenone,p-acetoxyacetophenone,4-acetoxyacetophenone,p-acetylphenyl acetate,4-acetylphenyl acetate,unii-eo1xk390jf,ethanone, 1-4-acetyloxy phenyl,4-acetoxy acetophenone,4-acetoxy-acetophenone,eo1xk390jf |
| IUPAC Name | (4-acetylphenyl) acetate |
| InChI Key | SMIOEQSLJNNKQF-UHFFFAOYSA-N |
| Molecular Formula | C10H10O3 |
6-(1-Pyrrolidinyl)pyridine-3-carboxaldehyde, 98%, Thermo Scientific Chemicals
CAS: 261715-39-3 Molecular Formula: C10H12N2O Molecular Weight (g/mol): 176.219 MDL Number: MFCD06200881 InChI Key: FFFAXGTZBUMKTI-UHFFFAOYSA-N Synonym: 6-1-pyrrolidinyl nicotinaldehyde,6-pyrrolidin-1-yl nicotinaldehyde,6-pyrrolidin-1-yl pyridine-3-carbaldehyde,6-pyrrolidin-1-yl pyridine-3-carboxaldehyde,6-1-pyrrolidinyl pyridine-3-carboxaldehyde,6-pyrrolidin-1-ylnicotinaldehyde,6-pyrrolidinylpyridine-3-carbaldehyde,6-1-pyrrolidino pyridine-3-carboxaldehyde,acmc-1cg5q,6-1-pyrrolidino nicotinaldehyde PubChem CID: 2794775 IUPAC Name: 6-pyrrolidin-1-ylpyridine-3-carbaldehyde SMILES: C1CCN(C1)C2=NC=C(C=C2)C=O
| PubChem CID | 2794775 |
|---|---|
| CAS | 261715-39-3 |
| Molecular Weight (g/mol) | 176.219 |
| MDL Number | MFCD06200881 |
| SMILES | C1CCN(C1)C2=NC=C(C=C2)C=O |
| Synonym | 6-1-pyrrolidinyl nicotinaldehyde,6-pyrrolidin-1-yl nicotinaldehyde,6-pyrrolidin-1-yl pyridine-3-carbaldehyde,6-pyrrolidin-1-yl pyridine-3-carboxaldehyde,6-1-pyrrolidinyl pyridine-3-carboxaldehyde,6-pyrrolidin-1-ylnicotinaldehyde,6-pyrrolidinylpyridine-3-carbaldehyde,6-1-pyrrolidino pyridine-3-carboxaldehyde,acmc-1cg5q,6-1-pyrrolidino nicotinaldehyde |
| IUPAC Name | 6-pyrrolidin-1-ylpyridine-3-carbaldehyde |
| InChI Key | FFFAXGTZBUMKTI-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2O |