Organooxygen compounds
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1,3-Butanediol 99.0+%, TCI America™
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CAS: 107-88-0 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.122 MDL Number: MFCD00004554 InChI Key: PUPZLCDOIYMWBV-UHFFFAOYSA-N Synonym: 1,3-butanediol,1,3-butylene glycol,1,3-dihydroxybutane,methyltrimethylene glycol,1,3-butandiol,1-methyl-1,3-propanediol,beta-butylene glycol,1,3 butylene glycol,1,3-butylenglykol,rs-1,3-butandiol PubChem CID: 7896 ChEBI: CHEBI:52683 IUPAC Name: butane-1,3-diol SMILES: CC(CCO)O
| PubChem CID | 7896 |
|---|---|
| CAS | 107-88-0 |
| Molecular Weight (g/mol) | 90.122 |
| ChEBI | CHEBI:52683 |
| MDL Number | MFCD00004554 |
| SMILES | CC(CCO)O |
| Synonym | 1,3-butanediol,1,3-butylene glycol,1,3-dihydroxybutane,methyltrimethylene glycol,1,3-butandiol,1-methyl-1,3-propanediol,beta-butylene glycol,1,3 butylene glycol,1,3-butylenglykol,rs-1,3-butandiol |
| IUPAC Name | butane-1,3-diol |
| InChI Key | PUPZLCDOIYMWBV-UHFFFAOYSA-N |
| Molecular Formula | C4H10O2 |
4-Heptyloxybenzaldehyde 98.0+%, TCI America™
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CAS: 27893-41-0 Molecular Formula: C14H20O2 Molecular Weight (g/mol): 220.312 MDL Number: MFCD00016616 InChI Key: YBCKMIZXHKVONZ-UHFFFAOYSA-N Synonym: 4-heptyloxybenzaldehyde,4-heptyloxy benzaldehyde,p-heptyloxybenzaldehyde,4-n-heptyloxybenzaldehyde,benzaldehyde, 4-heptyloxy,p-heptyloxy benzaldehyde,4-n-heptoxybenzaldehyde,4-heptyloxy-benzaldehyde,p-n-heptoxybenzaldehyde,acmc-209gzj PubChem CID: 119740 IUPAC Name: 4-heptoxybenzaldehyde SMILES: CCCCCCCOC1=CC=C(C=C1)C=O
| PubChem CID | 119740 |
|---|---|
| CAS | 27893-41-0 |
| Molecular Weight (g/mol) | 220.312 |
| MDL Number | MFCD00016616 |
| SMILES | CCCCCCCOC1=CC=C(C=C1)C=O |
| Synonym | 4-heptyloxybenzaldehyde,4-heptyloxy benzaldehyde,p-heptyloxybenzaldehyde,4-n-heptyloxybenzaldehyde,benzaldehyde, 4-heptyloxy,p-heptyloxy benzaldehyde,4-n-heptoxybenzaldehyde,4-heptyloxy-benzaldehyde,p-n-heptoxybenzaldehyde,acmc-209gzj |
| IUPAC Name | 4-heptoxybenzaldehyde |
| InChI Key | YBCKMIZXHKVONZ-UHFFFAOYSA-N |
| Molecular Formula | C14H20O2 |
Phenylmalonic Acid 95.0+%, TCI America™
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Decahydro-2-naphthol (mixture of isomers) 95.0+%, TCI America™
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CAS: 825-51-4 Molecular Formula: C10H18O Molecular Weight (g/mol): 154.253 MDL Number: MFCD00004132 InChI Key: UPMAOXLCTXPPAG-UHFFFAOYSA-N Synonym: 2-hydroxydecalin,2-decalol,2-naphthalenol, decahydro,decalin-2-ol,decahydronaphthalen-2-ol,2-decalinol,decahydro-2-naphthol,decahydronapthol-2,2-naphthol, decahydro,decahydronaphthol-2 PubChem CID: 13216 IUPAC Name: 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol SMILES: C1CCC2CC(CCC2C1)O
| PubChem CID | 13216 |
|---|---|
| CAS | 825-51-4 |
| Molecular Weight (g/mol) | 154.253 |
| MDL Number | MFCD00004132 |
| SMILES | C1CCC2CC(CCC2C1)O |
| Synonym | 2-hydroxydecalin,2-decalol,2-naphthalenol, decahydro,decalin-2-ol,decahydronaphthalen-2-ol,2-decalinol,decahydro-2-naphthol,decahydronapthol-2,2-naphthol, decahydro,decahydronaphthol-2 |
| IUPAC Name | 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol |
| InChI Key | UPMAOXLCTXPPAG-UHFFFAOYSA-N |
| Molecular Formula | C10H18O |
2-Acetyl-7-methoxybenzofuran 98.0+%, TCI America™
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CAS: 43071-52-9 Molecular Formula: C11H10O3 Molecular Weight (g/mol): 190.198 MDL Number: MFCD00016911 InChI Key: MUUMFANQVPWPFY-UHFFFAOYSA-N Synonym: 2-acetyl-7-methoxybenzofuran,1-7-methoxybenzofuran-2-yl ethanone,ethanone, 1-7-methoxy-2-benzofuranyl,1-7-methoxy-1-benzofuran-2-yl ethanone,2-acetyl-7-methoxybenzo b furan,2-acetyl-7-methoxycoumarone,7-methoxy-2-benzofuranyl methyl ketone,ketone, 7-methoxy-2-benzofuranyl methyl,1-7-methoxy-2-benzofuranyl ethanone,1-7-methoxy-1-benzofuran-2-yl ethan-1-one PubChem CID: 39378 IUPAC Name: 1-(7-methoxy-1-benzofuran-2-yl)ethanone SMILES: CC(=O)C1=CC2=C(O1)C(=CC=C2)OC
| PubChem CID | 39378 |
|---|---|
| CAS | 43071-52-9 |
| Molecular Weight (g/mol) | 190.198 |
| MDL Number | MFCD00016911 |
| SMILES | CC(=O)C1=CC2=C(O1)C(=CC=C2)OC |
| Synonym | 2-acetyl-7-methoxybenzofuran,1-7-methoxybenzofuran-2-yl ethanone,ethanone, 1-7-methoxy-2-benzofuranyl,1-7-methoxy-1-benzofuran-2-yl ethanone,2-acetyl-7-methoxybenzo b furan,2-acetyl-7-methoxycoumarone,7-methoxy-2-benzofuranyl methyl ketone,ketone, 7-methoxy-2-benzofuranyl methyl,1-7-methoxy-2-benzofuranyl ethanone,1-7-methoxy-1-benzofuran-2-yl ethan-1-one |
| IUPAC Name | 1-(7-methoxy-1-benzofuran-2-yl)ethanone |
| InChI Key | MUUMFANQVPWPFY-UHFFFAOYSA-N |
| Molecular Formula | C11H10O3 |
2'-Hydroxy-5'-methoxyacetophenone 98.0+%, TCI America™
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CAS: 705-15-7 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00008731 InChI Key: MLIBGOFSXXWRIY-UHFFFAOYSA-N Synonym: 2'-hydroxy-5'-methoxyacetophenone,1-2-hydroxy-5-methoxyphenyl ethanone,2-hydroxy-5-methoxyacetophenone,1-2-hydroxy-5-methoxyphenyl ethan-1-one,ethanone, 1-2-hydroxy-5-methoxyphenyl,5-methoxy-2-hydroxyacetophenone,acetophenone, 2'-hydroxy-5'-methoxy,2'-hydroxy-5'-methoxyacetylphenone,1-2-hydroxy-5-methoxy-phenyl-ethanone,1-acetyl-2-hydroxy-5-methoxybenzene PubChem CID: 69714 IUPAC Name: 1-(2-hydroxy-5-methoxyphenyl)ethanone SMILES: CC(=O)C1=C(C=CC(=C1)OC)O
| PubChem CID | 69714 |
|---|---|
| CAS | 705-15-7 |
| Molecular Weight (g/mol) | 166.176 |
| MDL Number | MFCD00008731 |
| SMILES | CC(=O)C1=C(C=CC(=C1)OC)O |
| Synonym | 2'-hydroxy-5'-methoxyacetophenone,1-2-hydroxy-5-methoxyphenyl ethanone,2-hydroxy-5-methoxyacetophenone,1-2-hydroxy-5-methoxyphenyl ethan-1-one,ethanone, 1-2-hydroxy-5-methoxyphenyl,5-methoxy-2-hydroxyacetophenone,acetophenone, 2'-hydroxy-5'-methoxy,2'-hydroxy-5'-methoxyacetylphenone,1-2-hydroxy-5-methoxy-phenyl-ethanone,1-acetyl-2-hydroxy-5-methoxybenzene |
| IUPAC Name | 1-(2-hydroxy-5-methoxyphenyl)ethanone |
| InChI Key | MLIBGOFSXXWRIY-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
5'-Fluoro-2'-hydroxyacetophenone 98.0+%, TCI America™
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CAS: 394-32-1 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00011668 InChI Key: KOFFXZYMDLWRHX-UHFFFAOYSA-N Synonym: 5'-fluoro-2'-hydroxyacetophenone,1-5-fluoro-2-hydroxyphenyl ethanone,1-5-fluoro-2-hydroxyphenyl ethan-1-one,5-fluoro-2-hydroxyacetophenone,1-5-fluoro-2-hydroxyphenyl-1-ethanone,2-hydroxy-5-fluoroacetophenone,2'-hydroxy-5'-fluoroacetophenone,ethanone, 1-5-fluoro-2-hydroxyphenyl,5'-fluoro-2'-hydroxy acetophenone,5'-fluoro-2'-hydroxy-acetophenone PubChem CID: 95992 IUPAC Name: 1-(5-fluoro-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C=CC(=C1)F)O
| PubChem CID | 95992 |
|---|---|
| CAS | 394-32-1 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00011668 |
| SMILES | CC(=O)C1=C(C=CC(=C1)F)O |
| Synonym | 5'-fluoro-2'-hydroxyacetophenone,1-5-fluoro-2-hydroxyphenyl ethanone,1-5-fluoro-2-hydroxyphenyl ethan-1-one,5-fluoro-2-hydroxyacetophenone,1-5-fluoro-2-hydroxyphenyl-1-ethanone,2-hydroxy-5-fluoroacetophenone,2'-hydroxy-5'-fluoroacetophenone,ethanone, 1-5-fluoro-2-hydroxyphenyl,5'-fluoro-2'-hydroxy acetophenone,5'-fluoro-2'-hydroxy-acetophenone |
| IUPAC Name | 1-(5-fluoro-2-hydroxyphenyl)ethanone |
| InChI Key | KOFFXZYMDLWRHX-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
3'-Hydroxyacetophenone 98.0+%, TCI America™
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CAS: 121-71-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002298 InChI Key: LUJMEECXHPYQOF-UHFFFAOYSA-N Synonym: 3'-hydroxyacetophenone,3-hydroxyacetophenone,1-3-hydroxyphenyl ethanone,m-hydroxyacetophenone,3-acetylphenol,1-3-hydroxyphenyl ethan-1-one,ethanone, 1-3-hydroxyphenyl,m-acetylphenol,3-hydroxy acetophenone,3-acetophenol PubChem CID: 8487 IUPAC Name: 1-(3-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)O
| PubChem CID | 8487 |
|---|---|
| CAS | 121-71-1 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00002298 |
| SMILES | CC(=O)C1=CC(=CC=C1)O |
| Synonym | 3'-hydroxyacetophenone,3-hydroxyacetophenone,1-3-hydroxyphenyl ethanone,m-hydroxyacetophenone,3-acetylphenol,1-3-hydroxyphenyl ethan-1-one,ethanone, 1-3-hydroxyphenyl,m-acetylphenol,3-hydroxy acetophenone,3-acetophenol |
| IUPAC Name | 1-(3-hydroxyphenyl)ethanone |
| InChI Key | LUJMEECXHPYQOF-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
6-Bromo-2-naphthaldehyde 98.0+%, TCI America™
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CAS: 170737-46-9 Molecular Formula: C11H7BrO Molecular Weight (g/mol): 235.08 MDL Number: MFCD09842469 InChI Key: DLLDUYJRQNTEOR-UHFFFAOYSA-N PubChem CID: 13477029 IUPAC Name: 6-bromonaphthalene-2-carbaldehyde SMILES: C1=CC2=C(C=CC(=C2)Br)C=C1C=O
| PubChem CID | 13477029 |
|---|---|
| CAS | 170737-46-9 |
| Molecular Weight (g/mol) | 235.08 |
| MDL Number | MFCD09842469 |
| SMILES | C1=CC2=C(C=CC(=C2)Br)C=C1C=O |
| IUPAC Name | 6-bromonaphthalene-2-carbaldehyde |
| InChI Key | DLLDUYJRQNTEOR-UHFFFAOYSA-N |
| Molecular Formula | C11H7BrO |
Benzyl D-(-)-Mandelate 98.0+%, TCI America™
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CAS: 97415-09-3 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.274 MDL Number: MFCD00674031 InChI Key: JFKWZVQEMSKSBU-CQSZACIVSA-N Synonym: D-(-)-Mandelic Acid Benzyl Ester PubChem CID: 853755 IUPAC Name: benzyl (2R)-2-hydroxy-2-phenylacetate SMILES: C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O
| PubChem CID | 853755 |
|---|---|
| CAS | 97415-09-3 |
| Molecular Weight (g/mol) | 242.274 |
| MDL Number | MFCD00674031 |
| SMILES | C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O |
| Synonym | D-(-)-Mandelic Acid Benzyl Ester |
| IUPAC Name | benzyl (2R)-2-hydroxy-2-phenylacetate |
| InChI Key | JFKWZVQEMSKSBU-CQSZACIVSA-N |
| Molecular Formula | C15H14O3 |
3-Methoxycyclohexene 97.0+%, TCI America™
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CAS: 2699-13-0 Molecular Formula: C7H12O Molecular Weight (g/mol): 112.172 InChI Key: OKDKFTKUXADLSJ-UHFFFAOYSA-N PubChem CID: 137685 IUPAC Name: 3-methoxycyclohexene SMILES: COC1CCCC=C1
| PubChem CID | 137685 |
|---|---|
| CAS | 2699-13-0 |
| Molecular Weight (g/mol) | 112.172 |
| SMILES | COC1CCCC=C1 |
| IUPAC Name | 3-methoxycyclohexene |
| InChI Key | OKDKFTKUXADLSJ-UHFFFAOYSA-N |
| Molecular Formula | C7H12O |
2,2,2-Trifluoro-4'-methoxyacetophenone 98.0+%, TCI America™
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CAS: 711-38-6 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.148 MDL Number: MFCD00018061 InChI Key: NCJZVRPXSSYDBG-UHFFFAOYSA-N PubChem CID: 136555 IUPAC Name: 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanone SMILES: COC1=CC=C(C=C1)C(=O)C(F)(F)F
| PubChem CID | 136555 |
|---|---|
| CAS | 711-38-6 |
| Molecular Weight (g/mol) | 204.148 |
| MDL Number | MFCD00018061 |
| SMILES | COC1=CC=C(C=C1)C(=O)C(F)(F)F |
| IUPAC Name | 2,2,2-trifluoro-1-(4-methoxyphenyl)ethanone |
| InChI Key | NCJZVRPXSSYDBG-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O2 |
7-Bromoisatin 97.0+%, TCI America™
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CAS: 20780-74-9 Molecular Formula: C8H4BrNO2 Molecular Weight (g/mol): 226.029 MDL Number: MFCD00774354 InChI Key: OCVKSIWBTJCXPV-UHFFFAOYSA-N Synonym: 7-bromoisatin,7-bromoindoline-2,3-dione,7-bromo-2,3-dioxoindoline,1h-indole-2,3-dione, 7-bromo,7-bromoindole-2,3-dione,7-bromo-2,3-dihydro-1h-indole-2,3-dione,7-bromoindole-1h-2,3-dione,7-bromo-2,3-indolinedione,7-bromo isatin,7-bromo-isatin PubChem CID: 2302353 IUPAC Name: 7-bromo-1H-indole-2,3-dione SMILES: C1=CC2=C(C(=C1)Br)NC(=O)C2=O
| PubChem CID | 2302353 |
|---|---|
| CAS | 20780-74-9 |
| Molecular Weight (g/mol) | 226.029 |
| MDL Number | MFCD00774354 |
| SMILES | C1=CC2=C(C(=C1)Br)NC(=O)C2=O |
| Synonym | 7-bromoisatin,7-bromoindoline-2,3-dione,7-bromo-2,3-dioxoindoline,1h-indole-2,3-dione, 7-bromo,7-bromoindole-2,3-dione,7-bromo-2,3-dihydro-1h-indole-2,3-dione,7-bromoindole-1h-2,3-dione,7-bromo-2,3-indolinedione,7-bromo isatin,7-bromo-isatin |
| IUPAC Name | 7-bromo-1H-indole-2,3-dione |
| InChI Key | OCVKSIWBTJCXPV-UHFFFAOYSA-N |
| Molecular Formula | C8H4BrNO2 |
4-Amylcyclohexanol (cis- and trans- mixture) 98.0+%, TCI America™
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CAS: 54410-90-1 Molecular Formula: C11H22O Molecular Weight (g/mol): 170.296 InChI Key: VHWGPISIUNUREA-UHFFFAOYSA-N Synonym: 4-Pentylcyclohexanol PubChem CID: 41076 IUPAC Name: 4-pentylcyclohexan-1-ol SMILES: CCCCCC1CCC(CC1)O
| PubChem CID | 41076 |
|---|---|
| CAS | 54410-90-1 |
| Molecular Weight (g/mol) | 170.296 |
| SMILES | CCCCCC1CCC(CC1)O |
| Synonym | 4-Pentylcyclohexanol |
| IUPAC Name | 4-pentylcyclohexan-1-ol |
| InChI Key | VHWGPISIUNUREA-UHFFFAOYSA-N |
| Molecular Formula | C11H22O |
2,4,4-Trimethyl-2-pentanol 95.0+%, TCI America™
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CAS: 690-37-9 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.231 MDL Number: MFCD00101611 InChI Key: BSYJHYLAMMJNRC-UHFFFAOYSA-N Synonym: 2-Hydroxy-2,4,4-trimethylpentane PubChem CID: 94740 IUPAC Name: 2,4,4-trimethylpentan-2-ol SMILES: CC(C)(C)CC(C)(C)O
| PubChem CID | 94740 |
|---|---|
| CAS | 690-37-9 |
| Molecular Weight (g/mol) | 130.231 |
| MDL Number | MFCD00101611 |
| SMILES | CC(C)(C)CC(C)(C)O |
| Synonym | 2-Hydroxy-2,4,4-trimethylpentane |
| IUPAC Name | 2,4,4-trimethylpentan-2-ol |
| InChI Key | BSYJHYLAMMJNRC-UHFFFAOYSA-N |
| Molecular Formula | C8H18O |