Organooxygen compounds
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Benzyl DL-Mandelate 98.0+%, TCI America™
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CAS: 890-98-2 Molecular Formula: C15H14O3 Molecular Weight (g/mol): 242.274 MDL Number: MFCD00021856 InChI Key: JFKWZVQEMSKSBU-UHFFFAOYSA-N Synonym: DL-Mandelic Acid Benzyl Ester PubChem CID: 13461 IUPAC Name: benzyl 2-hydroxy-2-phenylacetate SMILES: C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O
| PubChem CID | 13461 |
|---|---|
| CAS | 890-98-2 |
| Molecular Weight (g/mol) | 242.274 |
| MDL Number | MFCD00021856 |
| SMILES | C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O |
| Synonym | DL-Mandelic Acid Benzyl Ester |
| IUPAC Name | benzyl 2-hydroxy-2-phenylacetate |
| InChI Key | JFKWZVQEMSKSBU-UHFFFAOYSA-N |
| Molecular Formula | C15H14O3 |
2-[2-(2-Propynyloxy)ethoxy]ethylamine 98.0+%, TCI America™
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CAS: 944561-44-8 Molecular Formula: C7H13NO2 Molecular Weight (g/mol): 143.186 InChI Key: GVHLQHHQXWSDDM-UHFFFAOYSA-N Synonym: 2-[2-(Propargyloxy)ethoxy]ethylamine PubChem CID: 55219291 IUPAC Name: 2-(2-prop-2-ynoxyethoxy)ethanamine SMILES: C#CCOCCOCCN
| PubChem CID | 55219291 |
|---|---|
| CAS | 944561-44-8 |
| Molecular Weight (g/mol) | 143.186 |
| SMILES | C#CCOCCOCCN |
| Synonym | 2-[2-(Propargyloxy)ethoxy]ethylamine |
| IUPAC Name | 2-(2-prop-2-ynoxyethoxy)ethanamine |
| InChI Key | GVHLQHHQXWSDDM-UHFFFAOYSA-N |
| Molecular Formula | C7H13NO2 |
4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione 98.0+%, TCI America™
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CAS: 720-94-5 Molecular Formula: C11H9F3O2 Molecular Weight (g/mol): 230.186 MDL Number: MFCD00517909 InChI Key: WRZMHTIRFOFFPY-UHFFFAOYSA-N Synonym: 4,4,4-trifluoro-1-p-tolyl butane-1,3-dione,4,4,4-trifluoro-1-4-methylphenyl butane-1,3-dione,1-4-methylphenyl-4,4,4-trifluorobutane-1,3-dione,l-4-methylphenyl-4,4,4-trifluorobutane-1,3-dione,4,4,4-trifluoro-1-4-methyl phenyl-butane-1,3-dione,3-4-methylbenzoyl-1,1,1-trifluoroacetone,4,4,4-trifluoro-1-p-tolylbutane-1,3-dione,4,4,4-trifluoro-1-p-tolyl-butane-1,3-dione,1-4-methylphenyl-4,4,4-triflurobutane-1,3-dione,1,3-butanedione, 4,4,4-trifluoro-1-4-methylphenyl PubChem CID: 550193 IUPAC Name: 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione SMILES: CC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F
| PubChem CID | 550193 |
|---|---|
| CAS | 720-94-5 |
| Molecular Weight (g/mol) | 230.186 |
| MDL Number | MFCD00517909 |
| SMILES | CC1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)F |
| Synonym | 4,4,4-trifluoro-1-p-tolyl butane-1,3-dione,4,4,4-trifluoro-1-4-methylphenyl butane-1,3-dione,1-4-methylphenyl-4,4,4-trifluorobutane-1,3-dione,l-4-methylphenyl-4,4,4-trifluorobutane-1,3-dione,4,4,4-trifluoro-1-4-methyl phenyl-butane-1,3-dione,3-4-methylbenzoyl-1,1,1-trifluoroacetone,4,4,4-trifluoro-1-p-tolylbutane-1,3-dione,4,4,4-trifluoro-1-p-tolyl-butane-1,3-dione,1-4-methylphenyl-4,4,4-triflurobutane-1,3-dione,1,3-butanedione, 4,4,4-trifluoro-1-4-methylphenyl |
| IUPAC Name | 4,4,4-trifluoro-1-(4-methylphenyl)butane-1,3-dione |
| InChI Key | WRZMHTIRFOFFPY-UHFFFAOYSA-N |
| Molecular Formula | C11H9F3O2 |
Ethyl 2-(2-Amino-4-thiazolyl)-2-oxoacetate 96.0+%, TCI America™
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CAS: 64987-08-2 Molecular Formula: C7H8N2O3S Molecular Weight (g/mol): 200.212 MDL Number: MFCD00010414 InChI Key: XNVRKLCQBZTGNA-UHFFFAOYSA-N Synonym: 2-(2-Amino-4-thiazolyl)-2-oxoacetic Acid Ethyl Ester PubChem CID: 4356513 IUPAC Name: ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetate SMILES: CCOC(=O)C(=O)C1=CSC(=N1)N
| PubChem CID | 4356513 |
|---|---|
| CAS | 64987-08-2 |
| Molecular Weight (g/mol) | 200.212 |
| MDL Number | MFCD00010414 |
| SMILES | CCOC(=O)C(=O)C1=CSC(=N1)N |
| Synonym | 2-(2-Amino-4-thiazolyl)-2-oxoacetic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-(2-amino-1,3-thiazol-4-yl)-2-oxoacetate |
| InChI Key | XNVRKLCQBZTGNA-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O3S |
3-Pyridinemethanol 98.0+%, TCI America™
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CAS: 100-55-0 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.13 MDL Number: MFCD00006407 InChI Key: MVQVNTPHUGQQHK-UHFFFAOYSA-N Synonym: 3-pyridinemethanol,nicotinyl alcohol,3-hydroxymethyl pyridine,3-pyridylmethanol,nicotinic alcohol,3-pyridylcarbinol,roniacol,pyridylcarbinol,3-pyridinylmethanol,pyridine-3-carbinol PubChem CID: 7510 IUPAC Name: (pyridin-3-yl)methanol SMILES: OCC1=CC=CN=C1
| PubChem CID | 7510 |
|---|---|
| CAS | 100-55-0 |
| Molecular Weight (g/mol) | 109.13 |
| MDL Number | MFCD00006407 |
| SMILES | OCC1=CC=CN=C1 |
| Synonym | 3-pyridinemethanol,nicotinyl alcohol,3-hydroxymethyl pyridine,3-pyridylmethanol,nicotinic alcohol,3-pyridylcarbinol,roniacol,pyridylcarbinol,3-pyridinylmethanol,pyridine-3-carbinol |
| IUPAC Name | (pyridin-3-yl)methanol |
| InChI Key | MVQVNTPHUGQQHK-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
1-(2-Naphthyl)ethanol 98.0+%, TCI America™
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CAS: 7228-47-9 Molecular Formula: C12H12O Molecular Weight (g/mol): 172.227 MDL Number: MFCD00004111 InChI Key: AXRKCRWZRKETCK-UHFFFAOYSA-N Synonym: 1-2-naphthyl ethanol,1-naphthalen-2-yl ethanol,+/--1-2-naphthyl ethanol,1-naphthalen-2-yl ethan-1-ol,alpha-methylnaphthalene-2-methanol,.alpha.-methyl-2-naphthalenemethanol,pubchem9427,acmc-209gxz,acmc-1azul,methyl 2-naphtylcarbinol PubChem CID: 98243 IUPAC Name: 1-naphthalen-2-ylethanol SMILES: CC(C1=CC2=CC=CC=C2C=C1)O
| PubChem CID | 98243 |
|---|---|
| CAS | 7228-47-9 |
| Molecular Weight (g/mol) | 172.227 |
| MDL Number | MFCD00004111 |
| SMILES | CC(C1=CC2=CC=CC=C2C=C1)O |
| Synonym | 1-2-naphthyl ethanol,1-naphthalen-2-yl ethanol,+/--1-2-naphthyl ethanol,1-naphthalen-2-yl ethan-1-ol,alpha-methylnaphthalene-2-methanol,.alpha.-methyl-2-naphthalenemethanol,pubchem9427,acmc-209gxz,acmc-1azul,methyl 2-naphtylcarbinol |
| IUPAC Name | 1-naphthalen-2-ylethanol |
| InChI Key | AXRKCRWZRKETCK-UHFFFAOYSA-N |
| Molecular Formula | C12H12O |
12-Crown 4-Ether 95.0+%, TCI America™
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CAS: 294-93-9 Molecular Formula: C8H16O4 Molecular Weight (g/mol): 176.21 MDL Number: MFCD00005103 InChI Key: XQQZRZQVBFHBHL-UHFFFAOYSA-N PubChem CID: 9269 ChEBI: CHEBI:32399 IUPAC Name: 1,4,7,10-tetraoxacyclododecane SMILES: C1COCCOCCOCCO1
| PubChem CID | 9269 |
|---|---|
| CAS | 294-93-9 |
| Molecular Weight (g/mol) | 176.21 |
| ChEBI | CHEBI:32399 |
| MDL Number | MFCD00005103 |
| SMILES | C1COCCOCCOCCO1 |
| IUPAC Name | 1,4,7,10-tetraoxacyclododecane |
| InChI Key | XQQZRZQVBFHBHL-UHFFFAOYSA-N |
| Molecular Formula | C8H16O4 |
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 |
1,3-Diphenyl-2,3-epoxy-1-propanone 98.0+%, TCI America™
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CAS: 5411-12-1 Molecular Formula: C15H12O2 Molecular Weight (g/mol): 224.26 MDL Number: MFCD00022336 InChI Key: UQGMJZQVDNZRKT-UHFFFAOYNA-N Synonym: 2-benzoyl-3-phenyloxirane,chalcone oxide,1,3-diphenyl-2,3-epoxy-1-propanone,chalcone epoxide,trans-chalcone oxide,phenyl 3-phenyloxiran-2-yl methanone,ccris 2214,trans-phenyl 3-phenyloxiranyl methanone,methanone, phenyl 3-phenyloxiranyl,phenyl 3-phenyl-2-oxiranyl methanone PubChem CID: 92219 IUPAC Name: phenyl-(3-phenyloxiran-2-yl)methanone SMILES: C1=CC=C(C=C1)C2C(O2)C(=O)C3=CC=CC=C3
| PubChem CID | 92219 |
|---|---|
| CAS | 5411-12-1 |
| Molecular Weight (g/mol) | 224.26 |
| MDL Number | MFCD00022336 |
| SMILES | C1=CC=C(C=C1)C2C(O2)C(=O)C3=CC=CC=C3 |
| Synonym | 2-benzoyl-3-phenyloxirane,chalcone oxide,1,3-diphenyl-2,3-epoxy-1-propanone,chalcone epoxide,trans-chalcone oxide,phenyl 3-phenyloxiran-2-yl methanone,ccris 2214,trans-phenyl 3-phenyloxiranyl methanone,methanone, phenyl 3-phenyloxiranyl,phenyl 3-phenyl-2-oxiranyl methanone |
| IUPAC Name | phenyl-(3-phenyloxiran-2-yl)methanone |
| InChI Key | UQGMJZQVDNZRKT-UHFFFAOYNA-N |
| Molecular Formula | C15H12O2 |
Hexadecanophenone 95.0+%, TCI America™
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CAS: 6697-12-7 Molecular Formula: C22H36O Molecular Weight (g/mol): 316.53 MDL Number: MFCD00008997 InChI Key: IIOLAWJMOGLOIB-UHFFFAOYSA-N Synonym: Palmitophenone, Pentadecyl Phenyl Ketone PubChem CID: 81194 IUPAC Name: 1-phenylhexadecan-1-one SMILES: CCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 81194 |
|---|---|
| CAS | 6697-12-7 |
| Molecular Weight (g/mol) | 316.53 |
| MDL Number | MFCD00008997 |
| SMILES | CCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | Palmitophenone, Pentadecyl Phenyl Ketone |
| IUPAC Name | 1-phenylhexadecan-1-one |
| InChI Key | IIOLAWJMOGLOIB-UHFFFAOYSA-N |
| Molecular Formula | C22H36O |
4'-[(tert-Butyldimethylsilyloxy)methyl]-2,2,2-trifluoroacetophenone 97.0+%, TCI America™
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CAS: 87736-75-2 Molecular Formula: C15H21F3O2Si Molecular Weight (g/mol): 318.41 MDL Number: MFCD29089349 InChI Key: PNTKHPCHUVZRCB-UHFFFAOYSA-N Synonym: [(4-(Trifluoroacetyl)benzyl)oxy](tert-butyl)dimethylsilane PubChem CID: 13063196 IUPAC Name: 1-(4-{[(tert-butyldimethylsilyl)oxy]methyl}phenyl)-2,2,2-trifluoroethan-1-one SMILES: CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C(=O)C(F)(F)F
| PubChem CID | 13063196 |
|---|---|
| CAS | 87736-75-2 |
| Molecular Weight (g/mol) | 318.41 |
| MDL Number | MFCD29089349 |
| SMILES | CC(C)(C)[Si](C)(C)OCC1=CC=C(C=C1)C(=O)C(F)(F)F |
| Synonym | [(4-(Trifluoroacetyl)benzyl)oxy](tert-butyl)dimethylsilane |
| IUPAC Name | 1-(4-{[(tert-butyldimethylsilyl)oxy]methyl}phenyl)-2,2,2-trifluoroethan-1-one |
| InChI Key | PNTKHPCHUVZRCB-UHFFFAOYSA-N |
| Molecular Formula | C15H21F3O2Si |
Benzoylacetonitrile 98.0+%, TCI America™
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CAS: 614-16-4 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00001942 InChI Key: ZJRCIQAMTAINCB-UHFFFAOYSA-N Synonym: benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile PubChem CID: 64799 ChEBI: CHEBI:51855 IUPAC Name: 3-oxo-3-phenylpropanenitrile SMILES: O=C(CC#N)C1=CC=CC=C1
| PubChem CID | 64799 |
|---|---|
| CAS | 614-16-4 |
| Molecular Weight (g/mol) | 145.16 |
| ChEBI | CHEBI:51855 |
| MDL Number | MFCD00001942 |
| SMILES | O=C(CC#N)C1=CC=CC=C1 |
| Synonym | benzoylacetonitrile,2-cyanoacetophenone,phenacyl cyanide,3-oxo-3-phenyl-propionitrile,cyanomethyl phenyl ketone,acetonitrile, benzoyl,cyanoacetophenone,3-phenyl-3-ketopropionitrile,benzenepropanenitrile, beta-oxo,benzoyl acetonitrile |
| IUPAC Name | 3-oxo-3-phenylpropanenitrile |
| InChI Key | ZJRCIQAMTAINCB-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
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 |
4-(2-Aminoethyl)cyclohexanol (cis- and trans- mixture) 98.0+%, TCI America™
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CAS: 148356-06-3 Molecular Formula: C8H17NO Molecular Weight (g/mol): 143.23 MDL Number: MFCD11520548 InChI Key: FNHBFOVJIPXNFL-UHFFFAOYSA-N PubChem CID: 17773621 IUPAC Name: 4-(2-aminoethyl)cyclohexan-1-ol SMILES: NCCC1CCC(O)CC1
| PubChem CID | 17773621 |
|---|---|
| CAS | 148356-06-3 |
| Molecular Weight (g/mol) | 143.23 |
| MDL Number | MFCD11520548 |
| SMILES | NCCC1CCC(O)CC1 |
| IUPAC Name | 4-(2-aminoethyl)cyclohexan-1-ol |
| InChI Key | FNHBFOVJIPXNFL-UHFFFAOYSA-N |
| Molecular Formula | C8H17NO |
Valeraldehyde 95.0+%, TCI America™
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CAS: 110-62-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00007026 InChI Key: HGBOYTHUEUWSSQ-UHFFFAOYSA-N Synonym: valeraldehyde,n-pentanal,n-valeraldehyde,valeric aldehyde,valeral,valeryl aldehyde,amylaldehyde,butyl formal,amyl aldehyde,valeric acid aldehyde PubChem CID: 8063 ChEBI: CHEBI:84069 IUPAC Name: pentanal SMILES: CCCCC=O
| PubChem CID | 8063 |
|---|---|
| CAS | 110-62-3 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:84069 |
| MDL Number | MFCD00007026 |
| SMILES | CCCCC=O |
| Synonym | valeraldehyde,n-pentanal,n-valeraldehyde,valeric aldehyde,valeral,valeryl aldehyde,amylaldehyde,butyl formal,amyl aldehyde,valeric acid aldehyde |
| IUPAC Name | pentanal |
| InChI Key | HGBOYTHUEUWSSQ-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |