Organooxygen compounds
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Hexachloroacetone 98.0+%, TCI America™
CAS: 116-16-5 Molecular Formula: C3Cl6O Molecular Weight (g/mol): 264.73 MDL Number: MFCD00000796 InChI Key: DOJXGHGHTWFZHK-UHFFFAOYSA-N Synonym: hexachloroacetone,hexachloro-2-propanone,perchloroacetone,hexachloropropanone,kureha hca,hca weedkiller,perchloro-2-propanone,bis trichloromethyl ketone,acetone, hexachloro,2-propanone, hexachloro PubChem CID: 8303 ChEBI: CHEBI:82243 IUPAC Name: hexachloropropan-2-one SMILES: ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl
| PubChem CID | 8303 |
|---|---|
| CAS | 116-16-5 |
| Molecular Weight (g/mol) | 264.73 |
| ChEBI | CHEBI:82243 |
| MDL Number | MFCD00000796 |
| SMILES | ClC(Cl)(Cl)C(=O)C(Cl)(Cl)Cl |
| Synonym | hexachloroacetone,hexachloro-2-propanone,perchloroacetone,hexachloropropanone,kureha hca,hca weedkiller,perchloro-2-propanone,bis trichloromethyl ketone,acetone, hexachloro,2-propanone, hexachloro |
| IUPAC Name | hexachloropropan-2-one |
| InChI Key | DOJXGHGHTWFZHK-UHFFFAOYSA-N |
| Molecular Formula | C3Cl6O |
4'-Fluoro-2'-hydroxyacetophenone 97.0+%, TCI America™
CAS: 1481-27-2 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00143203 InChI Key: HLTBTUXAMVOKIH-UHFFFAOYSA-N Synonym: 4'-fluoro-2'-hydroxyacetophenone,1-4-fluoro-2-hydroxyphenyl ethanone,4-fluoro-2-hydroxyacetophenone,1-4-fluoro-2-hydroxyphenyl ethan-1-one,ethanone, 1-4-fluoro-2-hydroxyphenyl,1-4-fluoro-2-hydroxy-phenyl ethanone,1-acetyl-4-fluoro-2-hydroxybenzene,pubchem13252,acmc-1bzss,4'-fluoro-2'-hydroxy PubChem CID: 2737326 IUPAC Name: 1-(4-fluoro-2-hydroxyphenyl)ethan-1-one SMILES: CC(=O)C1=CC=C(F)C=C1O
| PubChem CID | 2737326 |
|---|---|
| CAS | 1481-27-2 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00143203 |
| SMILES | CC(=O)C1=CC=C(F)C=C1O |
| Synonym | 4'-fluoro-2'-hydroxyacetophenone,1-4-fluoro-2-hydroxyphenyl ethanone,4-fluoro-2-hydroxyacetophenone,1-4-fluoro-2-hydroxyphenyl ethan-1-one,ethanone, 1-4-fluoro-2-hydroxyphenyl,1-4-fluoro-2-hydroxy-phenyl ethanone,1-acetyl-4-fluoro-2-hydroxybenzene,pubchem13252,acmc-1bzss,4'-fluoro-2'-hydroxy |
| IUPAC Name | 1-(4-fluoro-2-hydroxyphenyl)ethan-1-one |
| InChI Key | HLTBTUXAMVOKIH-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
Hexanophenone 98.0+%, TCI America™
CAS: 942-92-7 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.26 MDL Number: MFCD00009512 InChI Key: MAHPVQDVMLWUAG-UHFFFAOYSA-N Synonym: hexanophenone,caprophenone,1-hexanone, 1-phenyl,1-phenyl-1-hexanone,n-hexanophenone,amyl phenyl ketone,hexaphenone,pentyl phenyl ketone,4-ethylbutyrophenone,n-amylphenyl ketone PubChem CID: 70337 IUPAC Name: 1-phenylhexan-1-one SMILES: CCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 70337 |
|---|---|
| CAS | 942-92-7 |
| Molecular Weight (g/mol) | 176.26 |
| MDL Number | MFCD00009512 |
| SMILES | CCCCCC(=O)C1=CC=CC=C1 |
| Synonym | hexanophenone,caprophenone,1-hexanone, 1-phenyl,1-phenyl-1-hexanone,n-hexanophenone,amyl phenyl ketone,hexaphenone,pentyl phenyl ketone,4-ethylbutyrophenone,n-amylphenyl ketone |
| IUPAC Name | 1-phenylhexan-1-one |
| InChI Key | MAHPVQDVMLWUAG-UHFFFAOYSA-N |
| Molecular Formula | C12H16O |
2'-Hydroxypropiophenone 97.0+%, TCI America™
CAS: 610-99-1 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002220 InChI Key: KDUWXMIHHIVXER-UHFFFAOYSA-N Synonym: 2'-hydroxypropiophenone,1-2-hydroxyphenyl propan-1-one,2-propionylphenol,1-propanone, 1-2-hydroxyphenyl,o-hydroxypropiophenone,o-propiophenol,propiophenone, 2'-hydroxy,ortho-hydroxypropiophenone,1-propanone,1-2-hydroxyphenyl,2-hydroxypropiophenone PubChem CID: 69133 IUPAC Name: 1-(2-hydroxyphenyl)propan-1-one SMILES: CCC(=O)C1=CC=CC=C1O
| PubChem CID | 69133 |
|---|---|
| CAS | 610-99-1 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00002220 |
| SMILES | CCC(=O)C1=CC=CC=C1O |
| Synonym | 2'-hydroxypropiophenone,1-2-hydroxyphenyl propan-1-one,2-propionylphenol,1-propanone, 1-2-hydroxyphenyl,o-hydroxypropiophenone,o-propiophenol,propiophenone, 2'-hydroxy,ortho-hydroxypropiophenone,1-propanone,1-2-hydroxyphenyl,2-hydroxypropiophenone |
| IUPAC Name | 1-(2-hydroxyphenyl)propan-1-one |
| InChI Key | KDUWXMIHHIVXER-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
4-(3-Fluorobenzyloxy)benzaldehyde 98.0+%, TCI America™
CAS: 66742-57-2 Molecular Formula: C14H11FO2 Molecular Weight (g/mol): 230.238 MDL Number: MFCD02605317 InChI Key: DNKSIIHRKWTIRH-UHFFFAOYSA-N PubChem CID: 880119 IUPAC Name: 4-[(3-fluorophenyl)methoxy]benzaldehyde SMILES: C1=CC(=CC(=C1)F)COC2=CC=C(C=C2)C=O
| PubChem CID | 880119 |
|---|---|
| CAS | 66742-57-2 |
| Molecular Weight (g/mol) | 230.238 |
| MDL Number | MFCD02605317 |
| SMILES | C1=CC(=CC(=C1)F)COC2=CC=C(C=C2)C=O |
| IUPAC Name | 4-[(3-fluorophenyl)methoxy]benzaldehyde |
| InChI Key | DNKSIIHRKWTIRH-UHFFFAOYSA-N |
| Molecular Formula | C14H11FO2 |
4'-Heptylacetophenone 96.0+%, TCI America™
CAS: 37593-03-6 Molecular Formula: C15H22O Molecular Weight (g/mol): 218.34 MDL Number: MFCD00038342 InChI Key: UQBRZOXCKKBKDU-UHFFFAOYSA-N Synonym: 4'-heptylacetophenone,p-heptylacetophenone,ethanone, 1-4-heptylphenyl,p-n-heptylacetophenone,1-4-heptylphenyl ethanone,1-4-heptylphenyl ethan-1-one,4'-n-heptylacetophenone,4-heptylacetophenone,1-acetyl-4-heptylbenzene,acmc-209iu8 PubChem CID: 98879 IUPAC Name: 1-(4-heptylphenyl)ethanone SMILES: CCCCCCCC1=CC=C(C=C1)C(=O)C
| PubChem CID | 98879 |
|---|---|
| CAS | 37593-03-6 |
| Molecular Weight (g/mol) | 218.34 |
| MDL Number | MFCD00038342 |
| SMILES | CCCCCCCC1=CC=C(C=C1)C(=O)C |
| Synonym | 4'-heptylacetophenone,p-heptylacetophenone,ethanone, 1-4-heptylphenyl,p-n-heptylacetophenone,1-4-heptylphenyl ethanone,1-4-heptylphenyl ethan-1-one,4'-n-heptylacetophenone,4-heptylacetophenone,1-acetyl-4-heptylbenzene,acmc-209iu8 |
| IUPAC Name | 1-(4-heptylphenyl)ethanone |
| InChI Key | UQBRZOXCKKBKDU-UHFFFAOYSA-N |
| Molecular Formula | C15H22O |
1-Adamantanemethanol 99.0+%, TCI America™
CAS: 770-71-8 Molecular Formula: C11H18O Molecular Weight (g/mol): 166.264 MDL Number: MFCD00074751 InChI Key: MDVGOOIANLZFCP-UHFFFAOYSA-N Synonym: 1-adamantanemethanol,adamantan-1-ylmethanol,1-adamantane methanol,1-hydroxymethyl adamantane,adamantane-1-methanol,adamantan-1-yl-methanol,1-hydroxymethyladamantane,tricyclo 3.3.1.1'3,7 dec-1-ylmethanol,adamantan-1-yl methanol,tricyclo 3.3.1.13,7 decanemethanol PubChem CID: 64556 IUPAC Name: 1-adamantylmethanol SMILES: C1C2CC3CC1CC(C2)(C3)CO
| PubChem CID | 64556 |
|---|---|
| CAS | 770-71-8 |
| Molecular Weight (g/mol) | 166.264 |
| MDL Number | MFCD00074751 |
| SMILES | C1C2CC3CC1CC(C2)(C3)CO |
| Synonym | 1-adamantanemethanol,adamantan-1-ylmethanol,1-adamantane methanol,1-hydroxymethyl adamantane,adamantane-1-methanol,adamantan-1-yl-methanol,1-hydroxymethyladamantane,tricyclo 3.3.1.1'3,7 dec-1-ylmethanol,adamantan-1-yl methanol,tricyclo 3.3.1.13,7 decanemethanol |
| IUPAC Name | 1-adamantylmethanol |
| InChI Key | MDVGOOIANLZFCP-UHFFFAOYSA-N |
| Molecular Formula | C11H18O |
2-Pyridineethanol 98.0+%, TCI America™
CAS: 103-74-2 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.155 MDL Number: MFCD00006364 InChI Key: BXGYBSJAZFGIPX-UHFFFAOYSA-N Synonym: 2-pyridineethanol,2-2-hydroxyethyl pyridine,2-2-pyridyl ethanol,pyridine-2-ethanol,2-pyridin-2-yl ethan-1-ol,2-pyridin-2-yl ethanol,2-pyridinethanol,2-pyridylethanol,2-pyridine ethanol,2-beta-hydroxyethyl pyridine PubChem CID: 7675 IUPAC Name: 2-pyridin-2-ylethanol SMILES: C1=CC=NC(=C1)CCO
| PubChem CID | 7675 |
|---|---|
| CAS | 103-74-2 |
| Molecular Weight (g/mol) | 123.155 |
| MDL Number | MFCD00006364 |
| SMILES | C1=CC=NC(=C1)CCO |
| Synonym | 2-pyridineethanol,2-2-hydroxyethyl pyridine,2-2-pyridyl ethanol,pyridine-2-ethanol,2-pyridin-2-yl ethan-1-ol,2-pyridin-2-yl ethanol,2-pyridinethanol,2-pyridylethanol,2-pyridine ethanol,2-beta-hydroxyethyl pyridine |
| IUPAC Name | 2-pyridin-2-ylethanol |
| InChI Key | BXGYBSJAZFGIPX-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
Ethyl 2-Hydroxyisobutyrate 98.0+%, TCI America™
CAS: 80-55-7 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00004458 InChI Key: GFUIDHWFLMPAGY-UHFFFAOYSA-N Synonym: ethyl 2-hydroxyisobutyrate,ethyl 2-hydroxy-2-methylpropionate,ethyl 2-methyllactate,propanoic acid, 2-hydroxy-2-methyl-, ethyl ester,ethyl alpha-hydroxyisobutyrate,2-methyllactic acid ethyl ester,ethyl,a-hydroxyisobutyrate,lactic acid, 2-methyl-, ethyl ester,unii-s1530mcv3x,ethyl-2-hydroxyisobutyrate PubChem CID: 6653 IUPAC Name: ethyl 2-hydroxy-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)O
| PubChem CID | 6653 |
|---|---|
| CAS | 80-55-7 |
| Molecular Weight (g/mol) | 132.16 |
| MDL Number | MFCD00004458 |
| SMILES | CCOC(=O)C(C)(C)O |
| Synonym | ethyl 2-hydroxyisobutyrate,ethyl 2-hydroxy-2-methylpropionate,ethyl 2-methyllactate,propanoic acid, 2-hydroxy-2-methyl-, ethyl ester,ethyl alpha-hydroxyisobutyrate,2-methyllactic acid ethyl ester,ethyl,a-hydroxyisobutyrate,lactic acid, 2-methyl-, ethyl ester,unii-s1530mcv3x,ethyl-2-hydroxyisobutyrate |
| IUPAC Name | ethyl 2-hydroxy-2-methylpropanoate |
| InChI Key | GFUIDHWFLMPAGY-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
4'-Hydroxy-3'-methoxyacetophenone 98.0+%, TCI America™
CAS: 498-02-2 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00008747 InChI Key: DFYRUELUNQRZTB-UHFFFAOYSA-N Synonym: acetovanillone,apocynin,4'-hydroxy-3'-methoxyacetophenone,1-4-hydroxy-3-methoxyphenyl ethanone,acetoguaiacone,acetoguaiacon,apocynine,4-acetyl-2-methoxyphenol,acetovanilone,acetovanyllon PubChem CID: 2214 ChEBI: CHEBI:2781 IUPAC Name: 1-(4-hydroxy-3-methoxyphenyl)ethan-1-one SMILES: COC1=CC(=CC=C1O)C(C)=O
| PubChem CID | 2214 |
|---|---|
| CAS | 498-02-2 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:2781 |
| MDL Number | MFCD00008747 |
| SMILES | COC1=CC(=CC=C1O)C(C)=O |
| Synonym | acetovanillone,apocynin,4'-hydroxy-3'-methoxyacetophenone,1-4-hydroxy-3-methoxyphenyl ethanone,acetoguaiacone,acetoguaiacon,apocynine,4-acetyl-2-methoxyphenol,acetovanilone,acetovanyllon |
| IUPAC Name | 1-(4-hydroxy-3-methoxyphenyl)ethan-1-one |
| InChI Key | DFYRUELUNQRZTB-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine 98.0+%, TCI America™
CAS: 445264-61-9 Molecular Formula: C12H18BNO3 Molecular Weight (g/mol): 235.09 MDL Number: MFCD05663858 InChI Key: QOGNDJLSYMJGPP-UHFFFAOYSA-N Synonym: 2-methoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-methoxyl-5-pyridineboronic acid pinacol ester,2-methoxypyridine-5-boronic acid pinacol ester,6-methoxypyridine-3-boronic acid pinacol ester,2-methoxy-5-pyridineboronic acid pinacol ester,6-methoxypyridin-3-ylboronic acid pinacol ester,pyridine, 2-methoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,2-methoxypyridine-5-boronic acid, pinacol ester,2-methoxypyridin-5-yl boronic acid pinacol ester,2-methoxy-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine PubChem CID: 16217714 IUPAC Name: 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OC
| PubChem CID | 16217714 |
|---|---|
| CAS | 445264-61-9 |
| Molecular Weight (g/mol) | 235.09 |
| MDL Number | MFCD05663858 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OC |
| Synonym | 2-methoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine,2-methoxyl-5-pyridineboronic acid pinacol ester,2-methoxypyridine-5-boronic acid pinacol ester,6-methoxypyridine-3-boronic acid pinacol ester,2-methoxy-5-pyridineboronic acid pinacol ester,6-methoxypyridin-3-ylboronic acid pinacol ester,pyridine, 2-methoxy-5-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,2-methoxypyridine-5-boronic acid, pinacol ester,2-methoxypyridin-5-yl boronic acid pinacol ester,2-methoxy-5-tetramethyl-1,3,2-dioxaborolan-2-yl pyridine |
| IUPAC Name | 2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine |
| InChI Key | QOGNDJLSYMJGPP-UHFFFAOYSA-N |
| Molecular Formula | C12H18BNO3 |
| PubChem CID | 2763087 |
|---|---|
| CAS | 850991-69-4 |
| Molecular Weight (g/mol) | 152.944 |
| MDL Number | MFCD03425977 |
| Color | White |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC(=CN=C1)OC)(O)O |
| TSCA | No |
| IUPAC Name | (5-methoxypyridin-3-yl)boronic acid |
| InChI Key | ISDFOFZTZUILPE-UHFFFAOYSA-N |
| Molecular Formula | C6H8BNO3 |
| Formula Weight | 152.94 |
2-Methoxythiazole 98.0+%, TCI America™
CAS: 14542-13-3 Molecular Formula: C4H5NOS Molecular Weight (g/mol): 115.15 MDL Number: MFCD01631143 InChI Key: MJJRDTKNLLMJDJ-UHFFFAOYSA-N Synonym: 2-methoxythiazole,thiazole, 2-methoxy,2-methoxy thiazole,acmc-209cuy,#,ksc174c3j,2-methoxy-1,3-thiazole PubChem CID: 575451 IUPAC Name: 2-methoxy-1,3-thiazole SMILES: COC1=NC=CS1
| PubChem CID | 575451 |
|---|---|
| CAS | 14542-13-3 |
| Molecular Weight (g/mol) | 115.15 |
| MDL Number | MFCD01631143 |
| SMILES | COC1=NC=CS1 |
| Synonym | 2-methoxythiazole,thiazole, 2-methoxy,2-methoxy thiazole,acmc-209cuy,#,ksc174c3j,2-methoxy-1,3-thiazole |
| IUPAC Name | 2-methoxy-1,3-thiazole |
| InChI Key | MJJRDTKNLLMJDJ-UHFFFAOYSA-N |
| Molecular Formula | C4H5NOS |
2-(4-Methoxycyclohexyl)ethylamine (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 1052223-70-7 Molecular Formula: C9H19NO Molecular Weight (g/mol): 157.257 MDL Number: MFCD07772981 InChI Key: CDTAOSZEZXQTRJ-UHFFFAOYSA-N Synonym: 1-(2-Aminoethyl)-4-methoxycyclohexane PubChem CID: 53434199 IUPAC Name: 2-(4-methoxycyclohexyl)ethanamine SMILES: COC1CCC(CC1)CCN
| PubChem CID | 53434199 |
|---|---|
| CAS | 1052223-70-7 |
| Molecular Weight (g/mol) | 157.257 |
| MDL Number | MFCD07772981 |
| SMILES | COC1CCC(CC1)CCN |
| Synonym | 1-(2-Aminoethyl)-4-methoxycyclohexane |
| IUPAC Name | 2-(4-methoxycyclohexyl)ethanamine |
| InChI Key | CDTAOSZEZXQTRJ-UHFFFAOYSA-N |
| Molecular Formula | C9H19NO |
Dibenzyl Malonate 95.0+%, TCI America™
CAS: 15014-25-2 Molecular Formula: C17H16O4 Molecular Weight (g/mol): 284.311 MDL Number: MFCD00004779 InChI Key: RYFCSKVXWRJEOB-UHFFFAOYSA-N PubChem CID: 84754 IUPAC Name: dibenzyl propanedioate SMILES: C1=CC=C(C=C1)COC(=O)CC(=O)OCC2=CC=CC=C2
| PubChem CID | 84754 |
|---|---|
| CAS | 15014-25-2 |
| Molecular Weight (g/mol) | 284.311 |
| MDL Number | MFCD00004779 |
| SMILES | C1=CC=C(C=C1)COC(=O)CC(=O)OCC2=CC=CC=C2 |
| IUPAC Name | dibenzyl propanedioate |
| InChI Key | RYFCSKVXWRJEOB-UHFFFAOYSA-N |
| Molecular Formula | C17H16O4 |