Organooxygen compounds
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Vanillin (contains H2SO4) Ethanol Solution [for TLC Stain], TCI America™
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CAS: 121-33-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00006942,MFCD08702848 InChI Key: MWOOGOJBHIARFG-UHFFFAOYSA-N Synonym: vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde PubChem CID: 1183 ChEBI: CHEBI:18346 IUPAC Name: 4-hydroxy-3-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1O
| PubChem CID | 1183 |
|---|---|
| CAS | 121-33-5 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:18346 |
| MDL Number | MFCD00006942,MFCD08702848 |
| SMILES | COC1=CC(C=O)=CC=C1O |
| Synonym | vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde |
| IUPAC Name | 4-hydroxy-3-methoxybenzaldehyde |
| InChI Key | MWOOGOJBHIARFG-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
5-Bromo-1-indanone 98.0+%, TCI America™
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CAS: 34598-49-7 Molecular Formula: C9H7BrO Molecular Weight (g/mol): 211.058 MDL Number: MFCD00082718 InChI Key: KSONICAHAPRCMV-UHFFFAOYSA-N Synonym: 5-bromo-1-indanone,5-bromoindanone,5-bromoindan-1-one,5-bromo-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-bromo-2,3-dihydro,1-indanone, 5-bromo,5-bromo-indanone,5-bromo indanone,zlchem 204,5-bromo-1-oxoindane PubChem CID: 520695 IUPAC Name: 5-bromo-2,3-dihydroinden-1-one SMILES: C1CC(=O)C2=C1C=C(C=C2)Br
| PubChem CID | 520695 |
|---|---|
| CAS | 34598-49-7 |
| Molecular Weight (g/mol) | 211.058 |
| MDL Number | MFCD00082718 |
| SMILES | C1CC(=O)C2=C1C=C(C=C2)Br |
| Synonym | 5-bromo-1-indanone,5-bromoindanone,5-bromoindan-1-one,5-bromo-2,3-dihydro-1h-inden-1-one,1h-inden-1-one, 5-bromo-2,3-dihydro,1-indanone, 5-bromo,5-bromo-indanone,5-bromo indanone,zlchem 204,5-bromo-1-oxoindane |
| IUPAC Name | 5-bromo-2,3-dihydroinden-1-one |
| InChI Key | KSONICAHAPRCMV-UHFFFAOYSA-N |
| Molecular Formula | C9H7BrO |
5-Chloro-1-indanone 97.0+%, TCI America™
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CAS: 42348-86-7 Molecular Formula: C9H7ClO Molecular Weight (g/mol): 166.60 MDL Number: MFCD00041456 InChI Key: MEDSHTHCZIOVPU-UHFFFAOYSA-N Synonym: 5-chloro-1-indanone,5-chloro-2,3-dihydro-1h-inden-1-one,5-chloroindan-1-one,5-chloro-indan-1-one,1h-inden-1-one, 5-chloro-2,3-dihydro,5-chloroindanone,5-chloroindone,pubchem2250,1-indanone, 5-chloro,5-chloro indanone PubChem CID: 142599 IUPAC Name: 5-chloro-2,3-dihydro-1H-inden-1-one SMILES: ClC1=CC=C2C(=O)CCC2=C1
| PubChem CID | 142599 |
|---|---|
| CAS | 42348-86-7 |
| Molecular Weight (g/mol) | 166.60 |
| MDL Number | MFCD00041456 |
| SMILES | ClC1=CC=C2C(=O)CCC2=C1 |
| Synonym | 5-chloro-1-indanone,5-chloro-2,3-dihydro-1h-inden-1-one,5-chloroindan-1-one,5-chloro-indan-1-one,1h-inden-1-one, 5-chloro-2,3-dihydro,5-chloroindanone,5-chloroindone,pubchem2250,1-indanone, 5-chloro,5-chloro indanone |
| IUPAC Name | 5-chloro-2,3-dihydro-1H-inden-1-one |
| InChI Key | MEDSHTHCZIOVPU-UHFFFAOYSA-N |
| Molecular Formula | C9H7ClO |
5-Fluoro-1-indanone 96.0+%, TCI America™
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CAS: 700-84-5 Molecular Formula: C9H7FO Molecular Weight (g/mol): 150.15 MDL Number: MFCD00041031 InChI Key: WVPPBVAMKNQXJA-UHFFFAOYSA-N Synonym: 5-fluoro-1-indanone,5-fluoro-2,3-dihydro-1h-inden-1-one,5-fluoroindan-1-one,1h-inden-1-one, 5-fluoro-2,3-dihydro,2,3-dihydro-5-fluoro-1h-inden-1-one,5-fluoroindanone,5-fluoro indanone,pubchem2388,5-flouro-1-indanone,pubchem13785 PubChem CID: 136537 IUPAC Name: 5-fluoro-2,3-dihydro-1H-inden-1-one SMILES: FC1=CC=C2C(=O)CCC2=C1
| PubChem CID | 136537 |
|---|---|
| CAS | 700-84-5 |
| Molecular Weight (g/mol) | 150.15 |
| MDL Number | MFCD00041031 |
| SMILES | FC1=CC=C2C(=O)CCC2=C1 |
| Synonym | 5-fluoro-1-indanone,5-fluoro-2,3-dihydro-1h-inden-1-one,5-fluoroindan-1-one,1h-inden-1-one, 5-fluoro-2,3-dihydro,2,3-dihydro-5-fluoro-1h-inden-1-one,5-fluoroindanone,5-fluoro indanone,pubchem2388,5-flouro-1-indanone,pubchem13785 |
| IUPAC Name | 5-fluoro-2,3-dihydro-1H-inden-1-one |
| InChI Key | WVPPBVAMKNQXJA-UHFFFAOYSA-N |
| Molecular Formula | C9H7FO |
Tetrakis(2,4-pentanedionato)titanium(IV) (ca. 63% in Isopropyl Alcohol), TCI America™
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CAS: 17501-79-0 Molecular Formula: C20H32O8Ti Molecular Weight (g/mol): 448.335 MDL Number: MFCD00045004 InChI Key: RYSXWUYLAWPLES-MTOQALJVSA-N Synonym: Acetylacetone Titanium(IV) Salt, Titanium(IV) Acetylacetonate PubChem CID: 44629996 IUPAC Name: (Z)-4-hydroxypent-3-en-2-one;titanium SMILES: CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.[Ti]
| PubChem CID | 44629996 |
|---|---|
| CAS | 17501-79-0 |
| Molecular Weight (g/mol) | 448.335 |
| MDL Number | MFCD00045004 |
| SMILES | CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.CC(=CC(=O)C)O.[Ti] |
| Synonym | Acetylacetone Titanium(IV) Salt, Titanium(IV) Acetylacetonate |
| IUPAC Name | (Z)-4-hydroxypent-3-en-2-one;titanium |
| InChI Key | RYSXWUYLAWPLES-MTOQALJVSA-N |
| Molecular Formula | C20H32O8Ti |
Diacetone Alcohol 98.0+%, TCI America™
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CAS: 123-42-2 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00004471 InChI Key: SWXVUIWOUIDPGS-UHFFFAOYSA-N Synonym: diacetone alcohol,4-hydroxy-4-methyl-2-pentanone,diacetonalkohol,diketone alcohol,diacetonalcohol,tyranton,acetonyldimethylcarbinol,diacetone-alcool,pyranton a,2-methyl-2-pentanol-4-one PubChem CID: 31256 ChEBI: CHEBI:55381 IUPAC Name: 4-hydroxy-4-methylpentan-2-one SMILES: CC(=O)CC(C)(C)O
| PubChem CID | 31256 |
|---|---|
| CAS | 123-42-2 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:55381 |
| MDL Number | MFCD00004471 |
| SMILES | CC(=O)CC(C)(C)O |
| Synonym | diacetone alcohol,4-hydroxy-4-methyl-2-pentanone,diacetonalkohol,diketone alcohol,diacetonalcohol,tyranton,acetonyldimethylcarbinol,diacetone-alcool,pyranton a,2-methyl-2-pentanol-4-one |
| IUPAC Name | 4-hydroxy-4-methylpentan-2-one |
| InChI Key | SWXVUIWOUIDPGS-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
(4-Chlorobenzoyl)acetonitrile 98.0+%, TCI America™
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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 |
2-Acetylpyrazine 99.0+%, TCI America™
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CAS: 22047-25-2 Molecular Formula: C6H6N2O Molecular Weight (g/mol): 122.127 MDL Number: MFCD00006134 InChI Key: DBZAKQWXICEWNW-UHFFFAOYSA-N Synonym: acetylpyrazine,2-acetylpyrazine,ethanone, 1-pyrazinyl,1-pyrazin-2-yl ethan-1-one,methyl pyrazinyl ketone,2-acetyl pyrazine,ketone, methyl pyrazinyl,1-pyrazinylethanone,1-pyrazin-2-yl-ethanone,1-pyrazin-2-yl ethanone PubChem CID: 30914 IUPAC Name: 1-pyrazin-2-ylethanone SMILES: CC(=O)C1=NC=CN=C1
| PubChem CID | 30914 |
|---|---|
| CAS | 22047-25-2 |
| Molecular Weight (g/mol) | 122.127 |
| MDL Number | MFCD00006134 |
| SMILES | CC(=O)C1=NC=CN=C1 |
| Synonym | acetylpyrazine,2-acetylpyrazine,ethanone, 1-pyrazinyl,1-pyrazin-2-yl ethan-1-one,methyl pyrazinyl ketone,2-acetyl pyrazine,ketone, methyl pyrazinyl,1-pyrazinylethanone,1-pyrazin-2-yl-ethanone,1-pyrazin-2-yl ethanone |
| IUPAC Name | 1-pyrazin-2-ylethanone |
| InChI Key | DBZAKQWXICEWNW-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O |
4-Acetylpyridine 98.0+%, TCI America™
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CAS: 1122-54-9 Molecular Formula: C7H7NO Molecular Weight (g/mol): 121.139 MDL Number: MFCD00006433 InChI Key: WMQUKDQWMMOHSA-UHFFFAOYSA-N Synonym: 4-acetylpyridine,methyl 4-pyridyl ketone,ethanone, 1-4-pyridinyl,ketone, methyl 4-pyridyl,1-pyridin-4-yl ethan-1-one,1-pyridin-4-yl ethanone,pyridine, 4-acetyl,4-acetyl pyridine,4-pyridyl methyl ketone,unii-g47437iow7 PubChem CID: 14282 IUPAC Name: 1-pyridin-4-ylethanone SMILES: CC(=O)C1=CC=NC=C1
| PubChem CID | 14282 |
|---|---|
| CAS | 1122-54-9 |
| Molecular Weight (g/mol) | 121.139 |
| MDL Number | MFCD00006433 |
| SMILES | CC(=O)C1=CC=NC=C1 |
| Synonym | 4-acetylpyridine,methyl 4-pyridyl ketone,ethanone, 1-4-pyridinyl,ketone, methyl 4-pyridyl,1-pyridin-4-yl ethan-1-one,1-pyridin-4-yl ethanone,pyridine, 4-acetyl,4-acetyl pyridine,4-pyridyl methyl ketone,unii-g47437iow7 |
| IUPAC Name | 1-pyridin-4-ylethanone |
| InChI Key | WMQUKDQWMMOHSA-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO |
3-Acetylthiophene 95.0+%, TCI America™
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CAS: 1468-83-3 Molecular Formula: C6H6OS Molecular Weight (g/mol): 126.17 MDL Number: MFCD00005468 InChI Key: RNIDWJDZNNVFDY-UHFFFAOYSA-N Synonym: 3-acetylthiophene,methyl 3-thienyl ketone,1-thiophen-3-yl ethan-1-one,1-thiophen-3-yl ethanone,1-3-thienyl ethanone,ethanone, 1-3-thienyl,ketone, methyl 3-thienyl,3-acetyl thiophene,1-thien-3-ylethanone,methyl-3-thienyl ketone PubChem CID: 15116 IUPAC Name: 1-(thiophen-3-yl)ethan-1-one SMILES: CC(=O)C1=CSC=C1
| PubChem CID | 15116 |
|---|---|
| CAS | 1468-83-3 |
| Molecular Weight (g/mol) | 126.17 |
| MDL Number | MFCD00005468 |
| SMILES | CC(=O)C1=CSC=C1 |
| Synonym | 3-acetylthiophene,methyl 3-thienyl ketone,1-thiophen-3-yl ethan-1-one,1-thiophen-3-yl ethanone,1-3-thienyl ethanone,ethanone, 1-3-thienyl,ketone, methyl 3-thienyl,3-acetyl thiophene,1-thien-3-ylethanone,methyl-3-thienyl ketone |
| IUPAC Name | 1-(thiophen-3-yl)ethan-1-one |
| InChI Key | RNIDWJDZNNVFDY-UHFFFAOYSA-N |
| Molecular Formula | C6H6OS |
Polyethylene Glycol Monooleyl Ether (n=approx. 7), TCI America™
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CAS: 9004-98-2 Molecular Formula: C58H116O21 Molecular Weight (g/mol): 1149.55 MDL Number: MFCD00074369 InChI Key: TVSFHLHLHUYZNN-KTKRTIGZSA-N Synonym: emulphor,brij 97,oleth-4,emulphor on-870,oleth-20,oleth-23,volpo 20,brij 98,brij 96,emulphor o PubChem CID: 5364713 IUPAC Name: (69Z)-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-icosaoxaoctaheptacont-69-en-1-ol SMILES: CCCCCCCC\C=C/CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
| PubChem CID | 5364713 |
|---|---|
| CAS | 9004-98-2 |
| Molecular Weight (g/mol) | 1149.55 |
| MDL Number | MFCD00074369 |
| SMILES | CCCCCCCC\C=C/CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO |
| Synonym | emulphor,brij 97,oleth-4,emulphor on-870,oleth-20,oleth-23,volpo 20,brij 98,brij 96,emulphor o |
| IUPAC Name | (69Z)-3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57,60-icosaoxaoctaheptacont-69-en-1-ol |
| InChI Key | TVSFHLHLHUYZNN-KTKRTIGZSA-N |
| Molecular Formula | C58H116O21 |
1,2-Hexadecanediol 98.0+%, TCI America™
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CAS: 6920-24-7 Molecular Formula: C16H34O2 Molecular Weight (g/mol): 258.45 MDL Number: MFCD00004727 InChI Key: BTOOAFQCTJZDRC-UHFFFAOYNA-N Synonym: 1,2-Dihydroxyhexadecane PubChem CID: 98037 ChEBI: CHEBI:75586 IUPAC Name: hexadecane-1,2-diol SMILES: CCCCCCCCCCCCCCC(O)CO
| PubChem CID | 98037 |
|---|---|
| CAS | 6920-24-7 |
| Molecular Weight (g/mol) | 258.45 |
| ChEBI | CHEBI:75586 |
| MDL Number | MFCD00004727 |
| SMILES | CCCCCCCCCCCCCCC(O)CO |
| Synonym | 1,2-Dihydroxyhexadecane |
| IUPAC Name | hexadecane-1,2-diol |
| InChI Key | BTOOAFQCTJZDRC-UHFFFAOYNA-N |
| Molecular Formula | C16H34O2 |
Ethyl Acetoacetate 98.0+%, TCI America™
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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 |
Trimethylolpropane 98.0+%, TCI America™
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CAS: 77-99-6 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.18 MDL Number: MFCD00004694 InChI Key: ZJCCRDAZUWHFQH-UHFFFAOYSA-N Synonym: trimethylolpropane,2-ethyl-2-hydroxymethyl propane-1,3-diol,ethriol,2-ethyl-2-hydroxymethyl-1,3-propanediol,hexaglycerine,ettriol,etriol,trimethylol propane,tmp alcohol,1,1,1-tris hydroxymethyl propane PubChem CID: 6510 IUPAC Name: 2-ethyl-2-(hydroxymethyl)propane-1,3-diol SMILES: CCC(CO)(CO)CO
| PubChem CID | 6510 |
|---|---|
| CAS | 77-99-6 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD00004694 |
| SMILES | CCC(CO)(CO)CO |
| Synonym | trimethylolpropane,2-ethyl-2-hydroxymethyl propane-1,3-diol,ethriol,2-ethyl-2-hydroxymethyl-1,3-propanediol,hexaglycerine,ettriol,etriol,trimethylol propane,tmp alcohol,1,1,1-tris hydroxymethyl propane |
| IUPAC Name | 2-ethyl-2-(hydroxymethyl)propane-1,3-diol |
| InChI Key | ZJCCRDAZUWHFQH-UHFFFAOYSA-N |
| Molecular Formula | C6H14O3 |
3-Chloro-1-propanol 98.0+%, TCI America™
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CAS: 627-30-5 Molecular Formula: C3H7ClO Molecular Weight (g/mol): 94.538 MDL Number: MFCD00002943 InChI Key: LAMUXTNQCICZQX-UHFFFAOYSA-N Synonym: 3-chloro-1-propanol,3-chloropropanol,1-propanol, 3-chloro,1-chloro-3-hydroxypropane,trimethylene chlorohydrin,3-chloro-l-propanol,3-chlorpropan-1-ol,3-choro-1-propanol,1-chloro-3-propanol,3-chloropropanol-1 PubChem CID: 12313 IUPAC Name: 3-chloropropan-1-ol SMILES: C(CO)CCl
| PubChem CID | 12313 |
|---|---|
| CAS | 627-30-5 |
| Molecular Weight (g/mol) | 94.538 |
| MDL Number | MFCD00002943 |
| SMILES | C(CO)CCl |
| Synonym | 3-chloro-1-propanol,3-chloropropanol,1-propanol, 3-chloro,1-chloro-3-hydroxypropane,trimethylene chlorohydrin,3-chloro-l-propanol,3-chlorpropan-1-ol,3-choro-1-propanol,1-chloro-3-propanol,3-chloropropanol-1 |
| IUPAC Name | 3-chloropropan-1-ol |
| InChI Key | LAMUXTNQCICZQX-UHFFFAOYSA-N |
| Molecular Formula | C3H7ClO |