Organooxygen compounds
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Ethyl 2-Ethylacetoacetate 97.0+%, TCI America™
CAS: 607-97-6 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00039898 InChI Key: OKANYBNORCUPKZ-UHFFFAOYSA-N Synonym: ethyl 2-ethylacetoacetate,ethyl 2-acetylbutyrate,butanoic acid, 2-ethyl-3-oxo-, ethyl ester,2-ethylacetoacetic acid ethyl ester,ethyl 2-ethyl-3-ketobutyrate,ethyl alpha-ethylacetoacetate,ethyl-2-ethylacetoacetate,2-ethyl-3-oxo-butyric acid ethyl ester,ethyl .alpha.-acetylbutyrate,ethyl 2-ethyl-3-oxo-butanoate PubChem CID: 79065 IUPAC Name: ethyl 2-ethyl-3-oxobutanoate SMILES: CCC(C(=O)C)C(=O)OCC
| PubChem CID | 79065 |
|---|---|
| CAS | 607-97-6 |
| Molecular Weight (g/mol) | 158.197 |
| MDL Number | MFCD00039898 |
| SMILES | CCC(C(=O)C)C(=O)OCC |
| Synonym | ethyl 2-ethylacetoacetate,ethyl 2-acetylbutyrate,butanoic acid, 2-ethyl-3-oxo-, ethyl ester,2-ethylacetoacetic acid ethyl ester,ethyl 2-ethyl-3-ketobutyrate,ethyl alpha-ethylacetoacetate,ethyl-2-ethylacetoacetate,2-ethyl-3-oxo-butyric acid ethyl ester,ethyl .alpha.-acetylbutyrate,ethyl 2-ethyl-3-oxo-butanoate |
| IUPAC Name | ethyl 2-ethyl-3-oxobutanoate |
| InChI Key | OKANYBNORCUPKZ-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
3-Methylpyrazole-4-carboxaldehyde 98.0+%, TCI America™
CAS: 112758-40-4 Molecular Formula: C5H6N2O Molecular Weight (g/mol): 110.12 MDL Number: MFCD01313822 InChI Key: NWDMGTFNIOCVDU-UHFFFAOYSA-N Synonym: 3-methyl-1h-pyrazole-4-carbaldehyde,3-methyl-1h-pyrazole-4-carboxaldehyde,3-methylpyrazole-4-carboxaldehyde,3-methylpyrazole-4-carbaldehyde,1h-pyrazole-4-carboxaldehyde, 3-methyl,3-methyl-2h-pyrazole-4-carbaldehyde,5-methylpyrazole-4-carbaldehyde,pubchem16065,acmc-1brby,4-formyl-3-methylpyrazole PubChem CID: 2760056 IUPAC Name: 5-methyl-1H-pyrazole-4-carbaldehyde SMILES: CC1=C(C=O)C=NN1
| PubChem CID | 2760056 |
|---|---|
| CAS | 112758-40-4 |
| Molecular Weight (g/mol) | 110.12 |
| MDL Number | MFCD01313822 |
| SMILES | CC1=C(C=O)C=NN1 |
| Synonym | 3-methyl-1h-pyrazole-4-carbaldehyde,3-methyl-1h-pyrazole-4-carboxaldehyde,3-methylpyrazole-4-carboxaldehyde,3-methylpyrazole-4-carbaldehyde,1h-pyrazole-4-carboxaldehyde, 3-methyl,3-methyl-2h-pyrazole-4-carbaldehyde,5-methylpyrazole-4-carbaldehyde,pubchem16065,acmc-1brby,4-formyl-3-methylpyrazole |
| IUPAC Name | 5-methyl-1H-pyrazole-4-carbaldehyde |
| InChI Key | NWDMGTFNIOCVDU-UHFFFAOYSA-N |
| Molecular Formula | C5H6N2O |
7-Bromo-1-heptanol 88.0+%, TCI America™
CAS: 10160-24-4 Molecular Formula: C7H15BrO Molecular Weight (g/mol): 195.1 MDL Number: MFCD00041708 InChI Key: MMXRRNUXCHUHOE-UHFFFAOYSA-N Synonym: 7-bromo-1-heptanol,1-heptanol, 7-bromo,7-bromoheptanol,7-bromoheptane-1-ol PubChem CID: 66284 IUPAC Name: 7-bromoheptan-1-ol SMILES: C(CCCO)CCCBr
| PubChem CID | 66284 |
|---|---|
| CAS | 10160-24-4 |
| Molecular Weight (g/mol) | 195.1 |
| MDL Number | MFCD00041708 |
| SMILES | C(CCCO)CCCBr |
| Synonym | 7-bromo-1-heptanol,1-heptanol, 7-bromo,7-bromoheptanol,7-bromoheptane-1-ol |
| IUPAC Name | 7-bromoheptan-1-ol |
| InChI Key | MMXRRNUXCHUHOE-UHFFFAOYSA-N |
| Molecular Formula | C7H15BrO |
2-Acetyl-5-chlorothiophene 99.0+%, TCI America™
CAS: 6310-09-4 Molecular Formula: C6H5ClOS Molecular Weight (g/mol): 160.62 MDL Number: MFCD00005444 InChI Key: HTZGPEHWQCRXGZ-UHFFFAOYSA-N Synonym: 2-acetyl-5-chlorothiophene,1-5-chlorothiophen-2-yl ethanone,1-5-chloro-2-thienyl ethanone,5-chloro-2-acetylthiophene,ethanone, 1-5-chloro-2-thienyl,5-chlor-2-acetyl thiophen,ketone, 5-chloro-2-thienyl methyl,1-5-chlorothiophen-2-yl ethan-1-one,5-chloro-2-thienyl methyl ketone,2-chloro-5-acetylthiophene PubChem CID: 80572 IUPAC Name: 1-(5-chlorothiophen-2-yl)ethanone SMILES: CC(=O)C1=CC=C(S1)Cl
| PubChem CID | 80572 |
|---|---|
| CAS | 6310-09-4 |
| Molecular Weight (g/mol) | 160.62 |
| MDL Number | MFCD00005444 |
| SMILES | CC(=O)C1=CC=C(S1)Cl |
| Synonym | 2-acetyl-5-chlorothiophene,1-5-chlorothiophen-2-yl ethanone,1-5-chloro-2-thienyl ethanone,5-chloro-2-acetylthiophene,ethanone, 1-5-chloro-2-thienyl,5-chlor-2-acetyl thiophen,ketone, 5-chloro-2-thienyl methyl,1-5-chlorothiophen-2-yl ethan-1-one,5-chloro-2-thienyl methyl ketone,2-chloro-5-acetylthiophene |
| IUPAC Name | 1-(5-chlorothiophen-2-yl)ethanone |
| InChI Key | HTZGPEHWQCRXGZ-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClOS |
4,4'-Dimethylbenzil 99.0+%, TCI America™
CAS: 3457-48-5 Molecular Formula: C16H14O2 Molecular Weight (g/mol): 238.286 MDL Number: MFCD00008554 InChI Key: BCWCEHMHCDCJAD-UHFFFAOYSA-N Synonym: 4,4'-dimethylbenzil,1,2-di-p-tolylethane-1,2-dione,p-tolil,1,2-bis 4-methylphenyl ethane-1,2-dione,ethanedione, bis 4-methylphenyl,ethandione, bis p-tolyl,bis 4-methylphenyl ethane-1,2-dione,1,2-bis 4-methylphenyl-1,2-ethanedione,di-p-tolylethanedione,4,4/'-dimethylbenzil PubChem CID: 76996 IUPAC Name: 1,2-bis(4-methylphenyl)ethane-1,2-dione SMILES: CC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C
| PubChem CID | 76996 |
|---|---|
| CAS | 3457-48-5 |
| Molecular Weight (g/mol) | 238.286 |
| MDL Number | MFCD00008554 |
| SMILES | CC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)C |
| Synonym | 4,4'-dimethylbenzil,1,2-di-p-tolylethane-1,2-dione,p-tolil,1,2-bis 4-methylphenyl ethane-1,2-dione,ethanedione, bis 4-methylphenyl,ethandione, bis p-tolyl,bis 4-methylphenyl ethane-1,2-dione,1,2-bis 4-methylphenyl-1,2-ethanedione,di-p-tolylethanedione,4,4/'-dimethylbenzil |
| IUPAC Name | 1,2-bis(4-methylphenyl)ethane-1,2-dione |
| InChI Key | BCWCEHMHCDCJAD-UHFFFAOYSA-N |
| Molecular Formula | C16H14O2 |
3-Methoxypropionitrile 99.0+%, TCI America™
CAS: 110-67-8 Molecular Formula: C4H7NO Molecular Weight (g/mol): 85.106 MDL Number: MFCD00001958 InChI Key: OOWFYDWAMOKVSF-UHFFFAOYSA-N Synonym: 3-methoxypropionitrile,propanenitrile, 3-methoxy,2-cyanoethyl methyl ether,3-methoxypropylnitrile,beta-methoxypropionitrile,1-cyano-2-methoxyethane,propionitrile, 3-methoxy,3-methoxypropannitril,3-methoxypropiononitrile,beta-methyoxypropionitrile PubChem CID: 61032 IUPAC Name: 3-methoxypropanenitrile SMILES: COCCC#N
| PubChem CID | 61032 |
|---|---|
| CAS | 110-67-8 |
| Molecular Weight (g/mol) | 85.106 |
| MDL Number | MFCD00001958 |
| SMILES | COCCC#N |
| Synonym | 3-methoxypropionitrile,propanenitrile, 3-methoxy,2-cyanoethyl methyl ether,3-methoxypropylnitrile,beta-methoxypropionitrile,1-cyano-2-methoxyethane,propionitrile, 3-methoxy,3-methoxypropannitril,3-methoxypropiononitrile,beta-methyoxypropionitrile |
| IUPAC Name | 3-methoxypropanenitrile |
| InChI Key | OOWFYDWAMOKVSF-UHFFFAOYSA-N |
| Molecular Formula | C4H7NO |
(R)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane 94.0+%, TCI America™
CAS: 70005-89-9 Molecular Formula: C7H14O3 Molecular Weight (g/mol): 146.186 MDL Number: MFCD02682966 InChI Key: YYEZYENJAMOWHW-ZCFIWIBFSA-N Synonym: (R)-2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethanol PubChem CID: 11480522 IUPAC Name: 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol SMILES: CC1(OCC(O1)CCO)C
| PubChem CID | 11480522 |
|---|---|
| CAS | 70005-89-9 |
| Molecular Weight (g/mol) | 146.186 |
| MDL Number | MFCD02682966 |
| SMILES | CC1(OCC(O1)CCO)C |
| Synonym | (R)-2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethanol |
| IUPAC Name | 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol |
| InChI Key | YYEZYENJAMOWHW-ZCFIWIBFSA-N |
| Molecular Formula | C7H14O3 |
5-Hydroxy-1-indanone 98.0+%, TCI America™
CAS: 3470-49-3 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD00857527 InChI Key: ZRKQOVXGDIZYDS-UHFFFAOYSA-N PubChem CID: 233147 IUPAC Name: 5-hydroxy-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C=C(C=C2)O
| PubChem CID | 233147 |
|---|---|
| CAS | 3470-49-3 |
| Molecular Weight (g/mol) | 148.161 |
| MDL Number | MFCD00857527 |
| SMILES | C1CC(=O)C2=C1C=C(C=C2)O |
| IUPAC Name | 5-hydroxy-2,3-dihydroinden-1-one |
| InChI Key | ZRKQOVXGDIZYDS-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
Diethyl Butylmalonate 99.0+%, TCI America™
CAS: 133-08-4 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.28 MDL Number: MFCD00009170 InChI Key: RPNFNBGRHCUORR-UHFFFAOYSA-N Synonym: diethyl butylmalonate,diethyl n-butylmalonate,butylmalonic acid diethyl ester,diethyl 2-butylmalonate,ethyl butylmalonate,propanedioic acid, butyl-, diethyl ester,unii-cyy2q744wb,cyy2q744wb,n-butylmalonic acid diethyl ester,malonic acid, butyl-, diethyl ester PubChem CID: 67244 IUPAC Name: 1,3-diethyl 2-butylpropanedioate SMILES: CCCCC(C(=O)OCC)C(=O)OCC
| PubChem CID | 67244 |
|---|---|
| CAS | 133-08-4 |
| Molecular Weight (g/mol) | 216.28 |
| MDL Number | MFCD00009170 |
| SMILES | CCCCC(C(=O)OCC)C(=O)OCC |
| Synonym | diethyl butylmalonate,diethyl n-butylmalonate,butylmalonic acid diethyl ester,diethyl 2-butylmalonate,ethyl butylmalonate,propanedioic acid, butyl-, diethyl ester,unii-cyy2q744wb,cyy2q744wb,n-butylmalonic acid diethyl ester,malonic acid, butyl-, diethyl ester |
| IUPAC Name | 1,3-diethyl 2-butylpropanedioate |
| InChI Key | RPNFNBGRHCUORR-UHFFFAOYSA-N |
| Molecular Formula | C11H20O4 |
2-Methoxythiophene 98.0+%, TCI America™
CAS: 16839-97-7 Molecular Formula: C5H6OS Molecular Weight (g/mol): 114.16 MDL Number: MFCD00014526 InChI Key: OKEHURCMYKPVFW-UHFFFAOYSA-N Synonym: thiophene, 2-methoxy,2-methoxy thiophene,2-methoxy-thiophene,2-methyloxy thiophene,pubchem12545,acmc-1bwzz,2-methoxythiophene,ksc183i2f PubChem CID: 85610 IUPAC Name: 2-methoxythiophene SMILES: COC1=CC=CS1
| PubChem CID | 85610 |
|---|---|
| CAS | 16839-97-7 |
| Molecular Weight (g/mol) | 114.16 |
| MDL Number | MFCD00014526 |
| SMILES | COC1=CC=CS1 |
| Synonym | thiophene, 2-methoxy,2-methoxy thiophene,2-methoxy-thiophene,2-methyloxy thiophene,pubchem12545,acmc-1bwzz,2-methoxythiophene,ksc183i2f |
| IUPAC Name | 2-methoxythiophene |
| InChI Key | OKEHURCMYKPVFW-UHFFFAOYSA-N |
| Molecular Formula | C5H6OS |
5-Formylthiazole 98.0+%, TCI America™
CAS: 1003-32-3 Molecular Formula: C4H3NOS Molecular Weight (g/mol): 113.13 MDL Number: MFCD02179516 InChI Key: ZXRLWHGLEJGMNO-UHFFFAOYSA-N Synonym: thiazole-5-carboxaldehyde,thiazole-5-carbaldehyde,5-thiazolecarboxaldehyde,thiazole-5-carboxyaldehyde,5-formylthiazole,5-formyl-1,3-thiazole,1,3-thiazole-5-carboxaldehyde,thiazole-5-aldehyde,zlchem 512,pubchem14219 PubChem CID: 2773577 IUPAC Name: 1,3-thiazole-5-carbaldehyde SMILES: O=CC1=CN=CS1
| PubChem CID | 2773577 |
|---|---|
| CAS | 1003-32-3 |
| Molecular Weight (g/mol) | 113.13 |
| MDL Number | MFCD02179516 |
| SMILES | O=CC1=CN=CS1 |
| Synonym | thiazole-5-carboxaldehyde,thiazole-5-carbaldehyde,5-thiazolecarboxaldehyde,thiazole-5-carboxyaldehyde,5-formylthiazole,5-formyl-1,3-thiazole,1,3-thiazole-5-carboxaldehyde,thiazole-5-aldehyde,zlchem 512,pubchem14219 |
| IUPAC Name | 1,3-thiazole-5-carbaldehyde |
| InChI Key | ZXRLWHGLEJGMNO-UHFFFAOYSA-N |
| Molecular Formula | C4H3NOS |
3,5-Diiodosalicylaldehyde 98.0+%, TCI America™
CAS: 2631-77-8 Molecular Formula: C7H4I2O2 Molecular Weight (g/mol): 373.916 MDL Number: MFCD00003321 InChI Key: MYWSBJKVOUZCIA-UHFFFAOYSA-N Synonym: 3,5-diiodosalicylaldehyde,benzaldehyde, 2-hydroxy-3,5-diiodo,3,5-diiodo-2-hydroxybenzaldehyde,2-hydroxy-3,5-diiodo-benzaldehyde,acmc-20ancp,3,5-diodosolicylaldehyde,2,4-diiodo-6-formylphenol,#,benzaldehyde,2-hydroxy-3,5-diiodo PubChem CID: 75829 IUPAC Name: 2-hydroxy-3,5-diiodobenzaldehyde SMILES: C1=C(C=C(C(=C1I)O)C=O)I
| PubChem CID | 75829 |
|---|---|
| CAS | 2631-77-8 |
| Molecular Weight (g/mol) | 373.916 |
| MDL Number | MFCD00003321 |
| SMILES | C1=C(C=C(C(=C1I)O)C=O)I |
| Synonym | 3,5-diiodosalicylaldehyde,benzaldehyde, 2-hydroxy-3,5-diiodo,3,5-diiodo-2-hydroxybenzaldehyde,2-hydroxy-3,5-diiodo-benzaldehyde,acmc-20ancp,3,5-diodosolicylaldehyde,2,4-diiodo-6-formylphenol,#,benzaldehyde,2-hydroxy-3,5-diiodo |
| IUPAC Name | 2-hydroxy-3,5-diiodobenzaldehyde |
| InChI Key | MYWSBJKVOUZCIA-UHFFFAOYSA-N |
| Molecular Formula | C7H4I2O2 |
3-Chlorosalicylaldehyde 98.0+%, TCI America™
CAS: 1927-94-2 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD04973581 InChI Key: DOHOPUBZLWVZMZ-UHFFFAOYSA-N Synonym: 3-Chloro-2-hydroxybenzaldehyde PubChem CID: 519651 IUPAC Name: 3-chloro-2-hydroxybenzaldehyde SMILES: C1=CC(=C(C(=C1)Cl)O)C=O
| PubChem CID | 519651 |
|---|---|
| CAS | 1927-94-2 |
| Molecular Weight (g/mol) | 156.565 |
| MDL Number | MFCD04973581 |
| SMILES | C1=CC(=C(C(=C1)Cl)O)C=O |
| Synonym | 3-Chloro-2-hydroxybenzaldehyde |
| IUPAC Name | 3-chloro-2-hydroxybenzaldehyde |
| InChI Key | DOHOPUBZLWVZMZ-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO2 |
Isoamyl Ether (stabilized with BHT) 98.0+%, TCI America™
CAS: 544-01-4 Molecular Formula: C10H22O Molecular Weight (g/mol): 158.285 MDL Number: MFCD00008947 InChI Key: AQZGPSLYZOOYQP-UHFFFAOYSA-N Synonym: diisopentyl ether,isoamyl ether,isopentyl ether,diisoamyl ether,isoamyl oxide,butane, 1,1'-oxybis 3-methyl,di-3-methylbutyl ether,di-iso-amyl ether,1,1'-oxybis 3-methylbutane,1,1'-oxylbis 3-methylbutane PubChem CID: 10989 IUPAC Name: 3-methyl-1-(3-methylbutoxy)butane SMILES: CC(C)CCOCCC(C)C
| PubChem CID | 10989 |
|---|---|
| CAS | 544-01-4 |
| Molecular Weight (g/mol) | 158.285 |
| MDL Number | MFCD00008947 |
| SMILES | CC(C)CCOCCC(C)C |
| Synonym | diisopentyl ether,isoamyl ether,isopentyl ether,diisoamyl ether,isoamyl oxide,butane, 1,1'-oxybis 3-methyl,di-3-methylbutyl ether,di-iso-amyl ether,1,1'-oxybis 3-methylbutane,1,1'-oxylbis 3-methylbutane |
| IUPAC Name | 3-methyl-1-(3-methylbutoxy)butane |
| InChI Key | AQZGPSLYZOOYQP-UHFFFAOYSA-N |
| Molecular Formula | C10H22O |
3'-Bromo-5'-chloro-2'-hydroxyacetophenone 97.0+%, TCI America™
CAS: 59443-15-1 Molecular Formula: C8H6BrClO2 Molecular Weight (g/mol): 249.49 MDL Number: MFCD00857068 InChI Key: FFAVKFQPEOGJOA-UHFFFAOYSA-N Synonym: 2-Acetyl-6-bromo-4-chlorophenol PubChem CID: 2735546 IUPAC Name: 1-(3-bromo-5-chloro-2-hydroxyphenyl)ethan-1-one SMILES: CC(=O)C1=CC(Cl)=CC(Br)=C1O
| PubChem CID | 2735546 |
|---|---|
| CAS | 59443-15-1 |
| Molecular Weight (g/mol) | 249.49 |
| MDL Number | MFCD00857068 |
| SMILES | CC(=O)C1=CC(Cl)=CC(Br)=C1O |
| Synonym | 2-Acetyl-6-bromo-4-chlorophenol |
| IUPAC Name | 1-(3-bromo-5-chloro-2-hydroxyphenyl)ethan-1-one |
| InChI Key | FFAVKFQPEOGJOA-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrClO2 |