Organooxygen compounds
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Cyclopentanol, 99%
CAS: 96-41-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00001363 InChI Key: XCIXKGXIYUWCLL-UHFFFAOYSA-N Synonym: hydroxycyclopentane,cyclopentyl alcohol,1-cyclopentanol,unii-1l43q07tbu,dsstox_cid_13371,dsstox_rid_79066,dsstox_gsid_33371,cydopentanol,1-hydroxycyclopentyl,1-cyclopentyl alcohol PubChem CID: 7298 ChEBI: CHEBI:16133 IUPAC Name: cyclopentanol SMILES: C1CCC(C1)O
| PubChem CID | 7298 |
|---|---|
| CAS | 96-41-3 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:16133 |
| MDL Number | MFCD00001363 |
| SMILES | C1CCC(C1)O |
| Synonym | hydroxycyclopentane,cyclopentyl alcohol,1-cyclopentanol,unii-1l43q07tbu,dsstox_cid_13371,dsstox_rid_79066,dsstox_gsid_33371,cydopentanol,1-hydroxycyclopentyl,1-cyclopentyl alcohol |
| IUPAC Name | cyclopentanol |
| InChI Key | XCIXKGXIYUWCLL-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
1-Octadecanol, 95%
CAS: 112-92-5 Molecular Formula: C18H38O Molecular Weight (g/mol): 270.5 MDL Number: MFCD00002823 InChI Key: GLDOVTGHNKAZLK-UHFFFAOYSA-N Synonym: stearyl alcohol,1-octadecanol,octadecanol,octadecyl alcohol,n-octadecanol,1-hydroxyoctadecane,n-1-octadecanol,stearol,n-octadecyl alcohol,stearic alcohol PubChem CID: 8221 ChEBI: CHEBI:32154 IUPAC Name: octadecan-1-ol SMILES: CCCCCCCCCCCCCCCCCCO
| PubChem CID | 8221 |
|---|---|
| CAS | 112-92-5 |
| Molecular Weight (g/mol) | 270.5 |
| ChEBI | CHEBI:32154 |
| MDL Number | MFCD00002823 |
| SMILES | CCCCCCCCCCCCCCCCCCO |
| Synonym | stearyl alcohol,1-octadecanol,octadecanol,octadecyl alcohol,n-octadecanol,1-hydroxyoctadecane,n-1-octadecanol,stearol,n-octadecyl alcohol,stearic alcohol |
| IUPAC Name | octadecan-1-ol |
| InChI Key | GLDOVTGHNKAZLK-UHFFFAOYSA-N |
| Molecular Formula | C18H38O |
2-Methyl-3-butyn-2-ol, 98%
CAS: 115-19-5 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.12 InChI Key: CEBKHWWANWSNTI-UHFFFAOYSA-N Synonym: 2-methyl-3-butyn-2-ol,3-butyn-2-ol, 2-methyl,3-methyl-1-butyn-3-ol,3-methylbutynol,2-methyl-2-butynol,ethynyldimethylcarbinol,carbavane,dimethylethynylcarbinol,dimethylethynylmethanol,1,1-dimethyl-2-propynol PubChem CID: 8258 IUPAC Name: 2-methylbut-3-yn-2-ol SMILES: CC(C)(C#C)O
| PubChem CID | 8258 |
|---|---|
| CAS | 115-19-5 |
| Molecular Weight (g/mol) | 84.12 |
| SMILES | CC(C)(C#C)O |
| Synonym | 2-methyl-3-butyn-2-ol,3-butyn-2-ol, 2-methyl,3-methyl-1-butyn-3-ol,3-methylbutynol,2-methyl-2-butynol,ethynyldimethylcarbinol,carbavane,dimethylethynylcarbinol,dimethylethynylmethanol,1,1-dimethyl-2-propynol |
| IUPAC Name | 2-methylbut-3-yn-2-ol |
| InChI Key | CEBKHWWANWSNTI-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
3,5-Dimethyl-4-isoxazolecarbaldehyde, Thermo Scientific™
CAS: 54593-26-9 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.127 InChI Key: TVAYXKLCEILMEA-UHFFFAOYSA-N Synonym: 3,5-dimethyl-4-isoxazolecarbaldehyde,3,5-dimethylisoxazole-4-carbaldehyde,3,5-dimethylisoxazole-4-carboxaldehyde,4-isoxazolecarboxaldehyde, 3,5-dimethyl,3,5-dimethyl-4-isoxazolecarboxaldehyde,3,5-dimethyl-4-formalisoxazole,pubchem8682,acmc-1axd1,ksc496e3j,3,5-dimethylisoxazol-4-carbaldehyde PubChem CID: 289576 IUPAC Name: 3,5-dimethyl-1,2-oxazole-4-carbaldehyde SMILES: CC1=C(C(=NO1)C)C=O
| PubChem CID | 289576 |
|---|---|
| CAS | 54593-26-9 |
| Molecular Weight (g/mol) | 125.127 |
| SMILES | CC1=C(C(=NO1)C)C=O |
| Synonym | 3,5-dimethyl-4-isoxazolecarbaldehyde,3,5-dimethylisoxazole-4-carbaldehyde,3,5-dimethylisoxazole-4-carboxaldehyde,4-isoxazolecarboxaldehyde, 3,5-dimethyl,3,5-dimethyl-4-isoxazolecarboxaldehyde,3,5-dimethyl-4-formalisoxazole,pubchem8682,acmc-1axd1,ksc496e3j,3,5-dimethylisoxazol-4-carbaldehyde |
| IUPAC Name | 3,5-dimethyl-1,2-oxazole-4-carbaldehyde |
| InChI Key | TVAYXKLCEILMEA-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2 |
7-Hydroxy-3,7-dimethyloctanal, MP Biomedicals
CAS: 107-75-5 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.268 InChI Key: WPFVBOQKRVRMJB-UHFFFAOYSA-N Synonym: hydroxycitronellal,7-hydroxycitronellal,citronellal hydrate,3,7-dimethyl-7-hydroxyoctanal,phixia,cyclalia,cyclosia,laurine,fixol,lilyl aldehyde PubChem CID: 7888 ChEBI: CHEBI:53459 IUPAC Name: 7-hydroxy-3,7-dimethyloctanal SMILES: CC(CCCC(C)(C)O)CC=O
| PubChem CID | 7888 |
|---|---|
| CAS | 107-75-5 |
| Molecular Weight (g/mol) | 172.268 |
| ChEBI | CHEBI:53459 |
| SMILES | CC(CCCC(C)(C)O)CC=O |
| Synonym | hydroxycitronellal,7-hydroxycitronellal,citronellal hydrate,3,7-dimethyl-7-hydroxyoctanal,phixia,cyclalia,cyclosia,laurine,fixol,lilyl aldehyde |
| IUPAC Name | 7-hydroxy-3,7-dimethyloctanal |
| InChI Key | WPFVBOQKRVRMJB-UHFFFAOYSA-N |
| Molecular Formula | C10H20O2 |
2-Benzyloxybenzaldehyde, 98%
CAS: 5896-17-3 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00016583 InChI Key: PBEJTRAJWCNHRS-UHFFFAOYSA-N Synonym: 2-benzyloxy benzaldehyde,2-benzyloxybenzaldehyde,benzaldehyde, 2-phenylmethoxy,o-benzyloxy benzaldehyde,benzaldehyde, o-benzyloxy,o-benzylsalicylaldehyde,2-benzyl-oxy benzaldehyde,2-phenylmethoxy benzaldehyde,benzyloxybenzaldehyde,o-benzyloxybenzaldehyde PubChem CID: 344784 IUPAC Name: 2-phenylmethoxybenzaldehyde SMILES: O=CC1=CC=CC=C1OCC1=CC=CC=C1
| PubChem CID | 344784 |
|---|---|
| CAS | 5896-17-3 |
| Molecular Weight (g/mol) | 212.25 |
| MDL Number | MFCD00016583 |
| SMILES | O=CC1=CC=CC=C1OCC1=CC=CC=C1 |
| Synonym | 2-benzyloxy benzaldehyde,2-benzyloxybenzaldehyde,benzaldehyde, 2-phenylmethoxy,o-benzyloxy benzaldehyde,benzaldehyde, o-benzyloxy,o-benzylsalicylaldehyde,2-benzyl-oxy benzaldehyde,2-phenylmethoxy benzaldehyde,benzyloxybenzaldehyde,o-benzyloxybenzaldehyde |
| IUPAC Name | 2-phenylmethoxybenzaldehyde |
| InChI Key | PBEJTRAJWCNHRS-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
6-Fluorosalicylaldehyde, 97%, Thermo Scientific Chemicals
CAS: 38226-10-7 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.113 MDL Number: MFCD01090996 InChI Key: FZIBGCDUHZBOLA-UHFFFAOYSA-N Synonym: 6-fluorosalicylaldehyde,3-fluoro-2-formylphenol,benzaldehyde, 2-fluoro-6-hydroxy,6-fluoro-2-hydroxybenzaldehyde,pubchem8482,acmc-20a0l1,6-fluorosalicyaldehyde,ksc497m7f,2-hydroxy-6-fluorobenzaldehyde,2-fluoro-6-hydroxy-benzaldehyde PubChem CID: 2737327 IUPAC Name: 2-fluoro-6-hydroxybenzaldehyde SMILES: C1=CC(=C(C(=C1)F)C=O)O
| PubChem CID | 2737327 |
|---|---|
| CAS | 38226-10-7 |
| Molecular Weight (g/mol) | 140.113 |
| MDL Number | MFCD01090996 |
| SMILES | C1=CC(=C(C(=C1)F)C=O)O |
| Synonym | 6-fluorosalicylaldehyde,3-fluoro-2-formylphenol,benzaldehyde, 2-fluoro-6-hydroxy,6-fluoro-2-hydroxybenzaldehyde,pubchem8482,acmc-20a0l1,6-fluorosalicyaldehyde,ksc497m7f,2-hydroxy-6-fluorobenzaldehyde,2-fluoro-6-hydroxy-benzaldehyde |
| IUPAC Name | 2-fluoro-6-hydroxybenzaldehyde |
| InChI Key | FZIBGCDUHZBOLA-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO2 |
Bile Salts, Spectrum™ Chemical
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Methyl 4-formyl-1-methyl-1H-pyrrole-2-carboxylate, 95%, Thermo Scientific™
CAS: 67858-47-3 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD01571196 InChI Key: GXSZDESAIZEFGZ-UHFFFAOYSA-N Synonym: methyl 4-formyl-1-methyl-1h-pyrrole-2-carboxylate,pubchem12439,methylformylmethylpyrrolecarboxylate,1h-pyrrole-2-carboxylicacid, 4-formyl-1-methyl-, methyl ester,4-formyl-1-methyl-1h-pyrrole-2-carboxylic acid methyl ester PubChem CID: 2798349 IUPAC Name: methyl 4-formyl-1-methylpyrrole-2-carboxylate SMILES: CN1C=C(C=C1C(=O)OC)C=O
| PubChem CID | 2798349 |
|---|---|
| CAS | 67858-47-3 |
| Molecular Weight (g/mol) | 167.164 |
| MDL Number | MFCD01571196 |
| SMILES | CN1C=C(C=C1C(=O)OC)C=O |
| Synonym | methyl 4-formyl-1-methyl-1h-pyrrole-2-carboxylate,pubchem12439,methylformylmethylpyrrolecarboxylate,1h-pyrrole-2-carboxylicacid, 4-formyl-1-methyl-, methyl ester,4-formyl-1-methyl-1h-pyrrole-2-carboxylic acid methyl ester |
| IUPAC Name | methyl 4-formyl-1-methylpyrrole-2-carboxylate |
| InChI Key | GXSZDESAIZEFGZ-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
Fructose, Granular, USP, 98-102%, Spectrum™ Chemical
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CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO
| CAS | 57-48-7 |
|---|---|
| Molecular Weight (g/mol) | 180.16 |
| SMILES | OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO |
| IUPAC Name | (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
| InChI Key | BJHIKXHVCXFQLS-UYFOZJQFSA-N |
| Molecular Formula | C6H12O6 |
Benzoylacetonitrile, 98+%
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 |
Ascorbic Acid, Reagent, ACS, 99%, Spectrum™ Chemical
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CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N IUPAC Name: (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
| CAS | 50-81-7 |
|---|---|
| Molecular Weight (g/mol) | 176.12 |
| MDL Number | MFCD00064328 |
| SMILES | OC[C@H](O)[C@H]1OC(=O)C(O)=C1O |
| IUPAC Name | (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one |
| InChI Key | CIWBSHSKHKDKBQ-DOMZIZNONA-N |
| Molecular Formula | C6H8O6 |
Ascorbic Acid, Crystalline Powder, FCC, 99-100.5%, Spectrum™ Chemical
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CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N IUPAC Name: (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
| CAS | 50-81-7 |
|---|---|
| Molecular Weight (g/mol) | 176.12 |
| MDL Number | MFCD00064328 |
| SMILES | OC[C@H](O)[C@H]1OC(=O)C(O)=C1O |
| IUPAC Name | (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one |
| InChI Key | CIWBSHSKHKDKBQ-DOMZIZNONA-N |
| Molecular Formula | C6H8O6 |
2-Methyl-2,4-pentanediol, 99+%
CAS: 107-41-5 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.18 InChI Key: SVTBMSDMJJWYQN-UHFFFAOYSA-N Synonym: hexylene glycol,2-methyl-2,4-pentanediol,pinakon,2,4-dihydroxy-2-methylpentane,2,4-pentanediol, 2-methyl,diolane,isol,4-methyl-2,4-pentanediol,1,1,3-trimethyltrimethylenediol,2-methyl pentane-2,4-diol PubChem CID: 7870 ChEBI: CHEBI:62995 IUPAC Name: 2-methylpentane-2,4-diol SMILES: CC(CC(C)(C)O)O
| PubChem CID | 7870 |
|---|---|
| CAS | 107-41-5 |
| Molecular Weight (g/mol) | 118.18 |
| ChEBI | CHEBI:62995 |
| SMILES | CC(CC(C)(C)O)O |
| Synonym | hexylene glycol,2-methyl-2,4-pentanediol,pinakon,2,4-dihydroxy-2-methylpentane,2,4-pentanediol, 2-methyl,diolane,isol,4-methyl-2,4-pentanediol,1,1,3-trimethyltrimethylenediol,2-methyl pentane-2,4-diol |
| IUPAC Name | 2-methylpentane-2,4-diol |
| InChI Key | SVTBMSDMJJWYQN-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |
6-(tetrahydropyran-4-yloxy)pyridine-2-carbaldehyde, Thermo Scientific™
CAS: 898289-54-8 Molecular Formula: C11H13NO3 Molecular Weight (g/mol): 207.229 InChI Key: SBTGZJPHUYLRRU-UHFFFAOYSA-N Synonym: 6-tetrahydropyran-4-yloxy pyridine-2-carbaldehyde,6-oxan-4-yloxy pyridine-2-carbaldehyde,6-oxan-4-yl oxy pyridine-2-carbaldehyde,6-tetrahydro-2h-pyran-4-yl oxy picolinaldehyde,6-2h-3,4,5,6-tetrahydropyran-4-yloxy pyridine-2-carbaldehyde PubChem CID: 45594294 IUPAC Name: 6-(oxan-4-yloxy)pyridine-2-carbaldehyde SMILES: C1COCCC1OC2=CC=CC(=N2)C=O
| PubChem CID | 45594294 |
|---|---|
| CAS | 898289-54-8 |
| Molecular Weight (g/mol) | 207.229 |
| SMILES | C1COCCC1OC2=CC=CC(=N2)C=O |
| Synonym | 6-tetrahydropyran-4-yloxy pyridine-2-carbaldehyde,6-oxan-4-yloxy pyridine-2-carbaldehyde,6-oxan-4-yl oxy pyridine-2-carbaldehyde,6-tetrahydro-2h-pyran-4-yl oxy picolinaldehyde,6-2h-3,4,5,6-tetrahydropyran-4-yloxy pyridine-2-carbaldehyde |
| IUPAC Name | 6-(oxan-4-yloxy)pyridine-2-carbaldehyde |
| InChI Key | SBTGZJPHUYLRRU-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO3 |