Organooxygen compounds
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Pentadecanophenone 98.0+%, TCI America™
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CAS: 4669-04-9 Molecular Formula: C21H34O Molecular Weight (g/mol): 302.50 InChI Key: SDNCECLJQYEDRK-UHFFFAOYSA-N Synonym: Phenyl Tetradecyl Ketone PubChem CID: 259220 IUPAC Name: 1-phenylpentadecan-1-one SMILES: CCCCCCCCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 259220 |
|---|---|
| CAS | 4669-04-9 |
| Molecular Weight (g/mol) | 302.50 |
| SMILES | CCCCCCCCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | Phenyl Tetradecyl Ketone |
| IUPAC Name | 1-phenylpentadecan-1-one |
| InChI Key | SDNCECLJQYEDRK-UHFFFAOYSA-N |
| Molecular Formula | C21H34O |
1-Bromo-3,3,3-trifluoroacetone 95.0+%, TCI America™
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CAS: 431-35-6 Molecular Formula: C3H2BrF3O Molecular Weight (g/mol): 190.95 MDL Number: MFCD00039237 InChI Key: ONZQYZKCUHFORE-UHFFFAOYSA-N Synonym: 3-bromo-1,1,1-trifluoroacetone,1-bromo-3,3,3-trifluoroacetone,bromotrifluoroacetone,3-bromo-1,1,1-trifluoro-2-propanone,3-bromo-1,1,1-trifluoropropanone,1-bromo-3,3,3-trifluoro-2-propanone,2-propanone, 3-bromo-1,1,1-trifluoro,1,1,1-trifluoro-3-bromopropanone,3-bromo-1,1,1-trifluoro-propan-2-one,bromotrifloroacetone PubChem CID: 79008 IUPAC Name: 3-bromo-1,1,1-trifluoropropan-2-one SMILES: FC(F)(F)C(=O)CBr
| PubChem CID | 79008 |
|---|---|
| CAS | 431-35-6 |
| Molecular Weight (g/mol) | 190.95 |
| MDL Number | MFCD00039237 |
| SMILES | FC(F)(F)C(=O)CBr |
| Synonym | 3-bromo-1,1,1-trifluoroacetone,1-bromo-3,3,3-trifluoroacetone,bromotrifluoroacetone,3-bromo-1,1,1-trifluoro-2-propanone,3-bromo-1,1,1-trifluoropropanone,1-bromo-3,3,3-trifluoro-2-propanone,2-propanone, 3-bromo-1,1,1-trifluoro,1,1,1-trifluoro-3-bromopropanone,3-bromo-1,1,1-trifluoro-propan-2-one,bromotrifloroacetone |
| IUPAC Name | 3-bromo-1,1,1-trifluoropropan-2-one |
| InChI Key | ONZQYZKCUHFORE-UHFFFAOYSA-N |
| Molecular Formula | C3H2BrF3O |
2'-Hydroxypropiophenone 97.0+%, TCI America™
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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'-Nitrobenzo-18-crown 6-Ether 97.0+%, TCI America™
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CAS: 53408-96-1 Molecular Formula: C16H23NO8 Molecular Weight (g/mol): 357.359 MDL Number: MFCD00143207 InChI Key: LQXOKBZWNFJJGI-UHFFFAOYSA-N Synonym: 4-nitrobenzo-18-crown-6,4'-nitrobenzo-18-crown 6-ether,nitrobenzo-18-crown-6,18-nitro-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine,20-nitro-2,5,8,11,14,17-hexaoxabicyclo 16.4.0 docosa-1 18 ,19,21-triene,4'-nitrobenzo-18-crown-6,lqxokbzwnfjjgi-uhfffaoysa,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacycloocta,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene PubChem CID: 602198 IUPAC Name: 20-nitro-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene SMILES: C1COCCOCCOC2=C(C=CC(=C2)[N+](=O)[O-])OCCOCCO1
| PubChem CID | 602198 |
|---|---|
| CAS | 53408-96-1 |
| Molecular Weight (g/mol) | 357.359 |
| MDL Number | MFCD00143207 |
| SMILES | C1COCCOCCOC2=C(C=CC(=C2)[N+](=O)[O-])OCCOCCO1 |
| Synonym | 4-nitrobenzo-18-crown-6,4'-nitrobenzo-18-crown 6-ether,nitrobenzo-18-crown-6,18-nitro-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine,20-nitro-2,5,8,11,14,17-hexaoxabicyclo 16.4.0 docosa-1 18 ,19,21-triene,4'-nitrobenzo-18-crown-6,lqxokbzwnfjjgi-uhfffaoysa,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacycloocta,2,3-4-nitrobenzo-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene |
| IUPAC Name | 20-nitro-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene |
| InChI Key | LQXOKBZWNFJJGI-UHFFFAOYSA-N |
| Molecular Formula | C16H23NO8 |
4-Chlorophenyl Cyclopropyl Ketone 96.0+%, TCI America™
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CAS: 6640-25-1 Molecular Formula: C10H9ClO Molecular Weight (g/mol): 180.631 MDL Number: MFCD00001295 InChI Key: OPSFCTBBDIDFJM-UHFFFAOYSA-N Synonym: 4-chlorophenyl cyclopropyl ketone,4-chlorophenyl cyclopropyl methanone,4-chlorobenzoyl cyclopropane,4-chlorobenzoylcyclopropane,methanone, 4-chlorophenyl cyclopropyl,4-chlorophenylcyclopropylmethanone,pubchem16774,acmc-209nvc,cyclopropyl 4-chlorophenyl ketone PubChem CID: 81148 IUPAC Name: (4-chlorophenyl)-cyclopropylmethanone SMILES: C1CC1C(=O)C2=CC=C(C=C2)Cl
| PubChem CID | 81148 |
|---|---|
| CAS | 6640-25-1 |
| Molecular Weight (g/mol) | 180.631 |
| MDL Number | MFCD00001295 |
| SMILES | C1CC1C(=O)C2=CC=C(C=C2)Cl |
| Synonym | 4-chlorophenyl cyclopropyl ketone,4-chlorophenyl cyclopropyl methanone,4-chlorobenzoyl cyclopropane,4-chlorobenzoylcyclopropane,methanone, 4-chlorophenyl cyclopropyl,4-chlorophenylcyclopropylmethanone,pubchem16774,acmc-209nvc,cyclopropyl 4-chlorophenyl ketone |
| IUPAC Name | (4-chlorophenyl)-cyclopropylmethanone |
| InChI Key | OPSFCTBBDIDFJM-UHFFFAOYSA-N |
| Molecular Formula | C10H9ClO |
Cyclohexanemethanol 98.0+%, TCI America™
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CAS: 100-49-2 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.188 MDL Number: MFCD00001510 InChI Key: VSSAZBXXNIABDN-UHFFFAOYSA-N Synonym: cyclohexanemethanol,cyclohexylcarbinol,hexahydrobenzyl alcohol,cyclohexanecarbinol,methanol, cyclohexyl,cyclohexylmethyl alcohol,benzyl alcohol, hexahydro,usaf do-49,hydroxymethylcyclohexane,hydroxymethyl cyclohexane PubChem CID: 7507 IUPAC Name: cyclohexylmethanol SMILES: C1CCC(CC1)CO
| PubChem CID | 7507 |
|---|---|
| CAS | 100-49-2 |
| Molecular Weight (g/mol) | 114.188 |
| MDL Number | MFCD00001510 |
| SMILES | C1CCC(CC1)CO |
| Synonym | cyclohexanemethanol,cyclohexylcarbinol,hexahydrobenzyl alcohol,cyclohexanecarbinol,methanol, cyclohexyl,cyclohexylmethyl alcohol,benzyl alcohol, hexahydro,usaf do-49,hydroxymethylcyclohexane,hydroxymethyl cyclohexane |
| IUPAC Name | cyclohexylmethanol |
| InChI Key | VSSAZBXXNIABDN-UHFFFAOYSA-N |
| Molecular Formula | C7H14O |
2-Methyl-4-phenyl-3-butyn-2-ol 98.0+%, TCI America™
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CAS: 1719-19-3 Molecular Formula: C11H12O Molecular Weight (g/mol): 160.22 MDL Number: MFCD00041572 InChI Key: FUPXYICBZMASCM-UHFFFAOYSA-N Synonym: 2-Hydroxy-2-methyl-4-phenyl-3-butyne PubChem CID: 288327 IUPAC Name: 2-methyl-4-phenylbut-3-yn-2-ol SMILES: CC(C)(O)C#CC1=CC=CC=C1
| PubChem CID | 288327 |
|---|---|
| CAS | 1719-19-3 |
| Molecular Weight (g/mol) | 160.22 |
| MDL Number | MFCD00041572 |
| SMILES | CC(C)(O)C#CC1=CC=CC=C1 |
| Synonym | 2-Hydroxy-2-methyl-4-phenyl-3-butyne |
| IUPAC Name | 2-methyl-4-phenylbut-3-yn-2-ol |
| InChI Key | FUPXYICBZMASCM-UHFFFAOYSA-N |
| Molecular Formula | C11H12O |
4'-Benzyloxyacetophenone 98.0+%, TCI America™
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CAS: 54696-05-8 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.275 MDL Number: MFCD00017247 InChI Key: MKYMYZJJFMPDOA-UHFFFAOYSA-N Synonym: 4'-benzyloxyacetophenone,1-4-benzyloxy phenyl ethanone,4-benzyloxyacetophenone,4'-benzyloxy-acetophenone,1-4-benzyloxy phenyl ethan-1-one,ethanone, 1-4-phenylmethoxy phenyl,4'-benzyloxy acetophenone,1-4-benzyloxyphenyl ethanone PubChem CID: 245226 IUPAC Name: 1-(4-phenylmethoxyphenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2
| PubChem CID | 245226 |
|---|---|
| CAS | 54696-05-8 |
| Molecular Weight (g/mol) | 226.275 |
| MDL Number | MFCD00017247 |
| SMILES | CC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2 |
| Synonym | 4'-benzyloxyacetophenone,1-4-benzyloxy phenyl ethanone,4-benzyloxyacetophenone,4'-benzyloxy-acetophenone,1-4-benzyloxy phenyl ethan-1-one,ethanone, 1-4-phenylmethoxy phenyl,4'-benzyloxy acetophenone,1-4-benzyloxyphenyl ethanone |
| IUPAC Name | 1-(4-phenylmethoxyphenyl)ethanone |
| InChI Key | MKYMYZJJFMPDOA-UHFFFAOYSA-N |
| Molecular Formula | C15H14O2 |
2,5-Dihydroxybenzaldehyde 98.0+%, TCI America™
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CAS: 1194-98-5 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.12 MDL Number: MFCD00003333 InChI Key: CLFRCXCBWIQVRN-UHFFFAOYSA-N Synonym: gentisaldehyde,benzaldehyde, 2,5-dihydroxy,gentisate aldehyde,unii-0q83hds90w,polymer,2-formylhydroquinone,pubchem2285,acmc-1btnd,2,5 dihydroxybenzaldehyde,benzaldehyde,5-dihydroxy PubChem CID: 70949 ChEBI: CHEBI:28508 IUPAC Name: 2,5-dihydroxybenzaldehyde SMILES: OC1=CC=C(O)C(C=O)=C1
| PubChem CID | 70949 |
|---|---|
| CAS | 1194-98-5 |
| Molecular Weight (g/mol) | 138.12 |
| ChEBI | CHEBI:28508 |
| MDL Number | MFCD00003333 |
| SMILES | OC1=CC=C(O)C(C=O)=C1 |
| Synonym | gentisaldehyde,benzaldehyde, 2,5-dihydroxy,gentisate aldehyde,unii-0q83hds90w,polymer,2-formylhydroquinone,pubchem2285,acmc-1btnd,2,5 dihydroxybenzaldehyde,benzaldehyde,5-dihydroxy |
| IUPAC Name | 2,5-dihydroxybenzaldehyde |
| InChI Key | CLFRCXCBWIQVRN-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3 |
2,4-Diamino-6-methoxy-1,3,5-triazine, TCI America™
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CAS: 2827-45-4 Molecular Formula: C4H7N5O Molecular Weight (g/mol): 141.13 MDL Number: MFCD00191340 InChI Key: XVMFICQRQHBOOT-UHFFFAOYSA-N PubChem CID: 17803 ChEBI: CHEBI:38930 IUPAC Name: 6-methoxy-1,3,5-triazine-2,4-diamine SMILES: COC1=NC(N)=NC(N)=N1
| PubChem CID | 17803 |
|---|---|
| CAS | 2827-45-4 |
| Molecular Weight (g/mol) | 141.13 |
| ChEBI | CHEBI:38930 |
| MDL Number | MFCD00191340 |
| SMILES | COC1=NC(N)=NC(N)=N1 |
| IUPAC Name | 6-methoxy-1,3,5-triazine-2,4-diamine |
| InChI Key | XVMFICQRQHBOOT-UHFFFAOYSA-N |
| Molecular Formula | C4H7N5O |
Diphenoxymethane 98.0+%, TCI America™
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CAS: 4442-41-5 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.237 MDL Number: MFCD00191642 InChI Key: VTXLTXPNXYLCQD-UHFFFAOYSA-N Synonym: Formaldehyde Diphenyl Acetal, Methylene Glycol Diphenyl Ether PubChem CID: 78183 IUPAC Name: phenoxymethoxybenzene SMILES: C1=CC=C(C=C1)OCOC2=CC=CC=C2
| PubChem CID | 78183 |
|---|---|
| CAS | 4442-41-5 |
| Molecular Weight (g/mol) | 200.237 |
| MDL Number | MFCD00191642 |
| SMILES | C1=CC=C(C=C1)OCOC2=CC=CC=C2 |
| Synonym | Formaldehyde Diphenyl Acetal, Methylene Glycol Diphenyl Ether |
| IUPAC Name | phenoxymethoxybenzene |
| InChI Key | VTXLTXPNXYLCQD-UHFFFAOYSA-N |
| Molecular Formula | C13H12O2 |
Hexaethylene Glycol 98.0+%, TCI America™
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CAS: 2615-15-8 Molecular Formula: C12H26O7 Molecular Weight (g/mol): 282.333 MDL Number: MFCD00002877 InChI Key: IIRDTKBZINWQAW-UHFFFAOYSA-N Synonym: hexaethylene glycol,hexagol,3,6,9,12,15-pentaoxaheptadecane-1,17-diol,hexaoxyethylene glycol,peg-6,polyethylene glycol 300,polyoxyethylene 6,hexaethyleneglycol,2-2-2-2-2-2-hydroxyethoxy ethoxy ethoxy ethoxy ethoxy ethanol,ho-peg6-oh PubChem CID: 17472 ChEBI: CHEBI:49793 IUPAC Name: 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol SMILES: C(COCCOCCOCCOCCOCCO)O
| PubChem CID | 17472 |
|---|---|
| CAS | 2615-15-8 |
| Molecular Weight (g/mol) | 282.333 |
| ChEBI | CHEBI:49793 |
| MDL Number | MFCD00002877 |
| SMILES | C(COCCOCCOCCOCCOCCO)O |
| Synonym | hexaethylene glycol,hexagol,3,6,9,12,15-pentaoxaheptadecane-1,17-diol,hexaoxyethylene glycol,peg-6,polyethylene glycol 300,polyoxyethylene 6,hexaethyleneglycol,2-2-2-2-2-2-hydroxyethoxy ethoxy ethoxy ethoxy ethoxy ethanol,ho-peg6-oh |
| IUPAC Name | 2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
| InChI Key | IIRDTKBZINWQAW-UHFFFAOYSA-N |
| Molecular Formula | C12H26O7 |
4'-Heptylacetophenone 96.0+%, TCI America™
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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 |
3-Hydroxycyclohexanecarboxylic Acid (cis- and trans- mixture) 98.0+%, TCI America™
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CAS: 606488-94-2 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 InChI Key: JBZDHFKPEDWWJC-UHFFFAOYSA-N PubChem CID: 5255726 IUPAC Name: 3-hydroxycyclohexane-1-carboxylic acid SMILES: C1CC(CC(C1)O)C(=O)O
| PubChem CID | 5255726 |
|---|---|
| CAS | 606488-94-2 |
| Molecular Weight (g/mol) | 144.17 |
| SMILES | C1CC(CC(C1)O)C(=O)O |
| IUPAC Name | 3-hydroxycyclohexane-1-carboxylic acid |
| InChI Key | JBZDHFKPEDWWJC-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
3-Chloro-4-pyridinecarboxaldehyde 98.0+%, TCI America™
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CAS: 72990-37-5 Molecular Formula: C6H4ClNO Molecular Weight (g/mol): 141.554 MDL Number: MFCD06200712 InChI Key: ZVGDKOQPJCOCLI-UHFFFAOYSA-N Synonym: 3-chloroisonicotinaldehyde,3-chloropyridine-4-carboxaldehyde,3-chloro-4-pyridinecarboxaldehyde,3-chloro-4-pyridinecarbaldehyde,3-chloro-pyridine-4-carbaldehyde,3-chloro-4-formylpyridine,4-pyridinecarboxaldehyde, 3-chloro,acmc-1bgrb,ksc377a6f PubChem CID: 2762995 IUPAC Name: 3-chloropyridine-4-carbaldehyde SMILES: C1=CN=CC(=C1C=O)Cl
| PubChem CID | 2762995 |
|---|---|
| CAS | 72990-37-5 |
| Molecular Weight (g/mol) | 141.554 |
| MDL Number | MFCD06200712 |
| SMILES | C1=CN=CC(=C1C=O)Cl |
| Synonym | 3-chloroisonicotinaldehyde,3-chloropyridine-4-carboxaldehyde,3-chloro-4-pyridinecarboxaldehyde,3-chloro-4-pyridinecarbaldehyde,3-chloro-pyridine-4-carbaldehyde,3-chloro-4-formylpyridine,4-pyridinecarboxaldehyde, 3-chloro,acmc-1bgrb,ksc377a6f |
| IUPAC Name | 3-chloropyridine-4-carbaldehyde |
| InChI Key | ZVGDKOQPJCOCLI-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO |