Organooxygen compounds
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Methyl trans-4-Hydroxycyclohexanecarboxylate 98.0+%, TCI America™
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CAS: 6125-57-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00729087,MFCD20441962,MFCD20441963 InChI Key: HYDYVXROZHFTGB-UHFFFAOYSA-N Synonym: trans-4-Hydroxycyclohexanecarboxylic Acid Methyl Ester PubChem CID: 87117 IUPAC Name: methyl 4-hydroxycyclohexane-1-carboxylate SMILES: COC(=O)C1CCC(O)CC1
| PubChem CID | 87117 |
|---|---|
| CAS | 6125-57-1 |
| Molecular Weight (g/mol) | 158.20 |
| MDL Number | MFCD00729087,MFCD20441962,MFCD20441963 |
| SMILES | COC(=O)C1CCC(O)CC1 |
| Synonym | trans-4-Hydroxycyclohexanecarboxylic Acid Methyl Ester |
| IUPAC Name | methyl 4-hydroxycyclohexane-1-carboxylate |
| InChI Key | HYDYVXROZHFTGB-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
Ethylene Cyanohydrin 95.0+%, TCI America™
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CAS: 109-78-4 Molecular Formula: C3H5NO Molecular Weight (g/mol): 71.079 MDL Number: MFCD00002826 InChI Key: WSGYTJNNHPZFKR-UHFFFAOYSA-N Synonym: 3-hydroxypropionitrile,hydracrylonitrile,2-cyanoethanol,ethylene cyanohydrin,propanenitrile, 3-hydroxy,beta-cyanoethanol,glycol cyanohydrin,methanolacetonitrile,hydroxypropanenitrile,2-hydroxycyanoethane PubChem CID: 8011 IUPAC Name: 3-hydroxypropanenitrile SMILES: C(CO)C#N
| PubChem CID | 8011 |
|---|---|
| CAS | 109-78-4 |
| Molecular Weight (g/mol) | 71.079 |
| MDL Number | MFCD00002826 |
| SMILES | C(CO)C#N |
| Synonym | 3-hydroxypropionitrile,hydracrylonitrile,2-cyanoethanol,ethylene cyanohydrin,propanenitrile, 3-hydroxy,beta-cyanoethanol,glycol cyanohydrin,methanolacetonitrile,hydroxypropanenitrile,2-hydroxycyanoethane |
| IUPAC Name | 3-hydroxypropanenitrile |
| InChI Key | WSGYTJNNHPZFKR-UHFFFAOYSA-N |
| Molecular Formula | C3H5NO |
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 |
4'-Aminohexanophenone 98.0+%, TCI America™
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CAS: 38237-76-2 Molecular Formula: C12H17NO Molecular Weight (g/mol): 191.274 InChI Key: YDQJFPLRVSPPGE-UHFFFAOYSA-N Synonym: 4-Hexanoylaniline PubChem CID: 37983 IUPAC Name: 1-(4-aminophenyl)hexan-1-one SMILES: CCCCCC(=O)C1=CC=C(C=C1)N
| PubChem CID | 37983 |
|---|---|
| CAS | 38237-76-2 |
| Molecular Weight (g/mol) | 191.274 |
| SMILES | CCCCCC(=O)C1=CC=C(C=C1)N |
| Synonym | 4-Hexanoylaniline |
| IUPAC Name | 1-(4-aminophenyl)hexan-1-one |
| InChI Key | YDQJFPLRVSPPGE-UHFFFAOYSA-N |
| Molecular Formula | C12H17NO |
Ethylal 99.0+%, TCI America™
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CAS: 462-95-3 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00009246 InChI Key: KLKFAASOGCDTDT-UHFFFAOYSA-N Synonym: diethoxymethane,ethylal,formaldehyde diethyl acetal,diethylformal,diethoxy methane,methane, diethoxy,ethoxymethoxy ethane,ethoxymethyl ethyl ether,1,1-diethoxymethane,3,5-dioxaheptene PubChem CID: 10024 IUPAC Name: (ethoxymethoxy)ethane SMILES: CCOCOCC
| PubChem CID | 10024 |
|---|---|
| CAS | 462-95-3 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00009246 |
| SMILES | CCOCOCC |
| Synonym | diethoxymethane,ethylal,formaldehyde diethyl acetal,diethylformal,diethoxy methane,methane, diethoxy,ethoxymethoxy ethane,ethoxymethyl ethyl ether,1,1-diethoxymethane,3,5-dioxaheptene |
| IUPAC Name | (ethoxymethoxy)ethane |
| InChI Key | KLKFAASOGCDTDT-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |
Syringaldehyde 98.0+%, TCI America™
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CAS: 134-96-3 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00006943 InChI Key: KCDXJAYRVLXPFO-UHFFFAOYSA-N Synonym: syringaldehyde,3,5-dimethoxy-4-hydroxybenzaldehyde,syringic aldehyde,syringylaldehyde,syringealdehyde,benzaldehyde, 4-hydroxy-3,5-dimethoxy,gallaldehyde 3,5-dimethyl ether,3,5-dimethoxy-4-hydroxybenzene carbonal,4-hydroxy-3,5-dimethoxy-benzaldehyde,springaldehyde PubChem CID: 8655 ChEBI: CHEBI:67380 IUPAC Name: 4-hydroxy-3,5-dimethoxybenzaldehyde SMILES: COC1=CC(C=O)=CC(OC)=C1O
| PubChem CID | 8655 |
|---|---|
| CAS | 134-96-3 |
| Molecular Weight (g/mol) | 182.18 |
| ChEBI | CHEBI:67380 |
| MDL Number | MFCD00006943 |
| SMILES | COC1=CC(C=O)=CC(OC)=C1O |
| Synonym | syringaldehyde,3,5-dimethoxy-4-hydroxybenzaldehyde,syringic aldehyde,syringylaldehyde,syringealdehyde,benzaldehyde, 4-hydroxy-3,5-dimethoxy,gallaldehyde 3,5-dimethyl ether,3,5-dimethoxy-4-hydroxybenzene carbonal,4-hydroxy-3,5-dimethoxy-benzaldehyde,springaldehyde |
| IUPAC Name | 4-hydroxy-3,5-dimethoxybenzaldehyde |
| InChI Key | KCDXJAYRVLXPFO-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
Dimethoxymethane 98.0+%, TCI America™
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CAS: 109-87-5 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.095 MDL Number: MFCD00008495 InChI Key: NKDDWNXOKDWJAK-UHFFFAOYSA-N Synonym: methylal,formal,methane, dimethoxy,formaldehyde dimethyl acetal,dimethyl formal,anesthenyl,2,4-dioxapentane,bis methoxy methane,methylene dimethyl ether,methoxymethyl methyl ether PubChem CID: 8020 ChEBI: CHEBI:48341 IUPAC Name: dimethoxymethane SMILES: COCOC
| PubChem CID | 8020 |
|---|---|
| CAS | 109-87-5 |
| Molecular Weight (g/mol) | 76.095 |
| ChEBI | CHEBI:48341 |
| MDL Number | MFCD00008495 |
| SMILES | COCOC |
| Synonym | methylal,formal,methane, dimethoxy,formaldehyde dimethyl acetal,dimethyl formal,anesthenyl,2,4-dioxapentane,bis methoxy methane,methylene dimethyl ether,methoxymethyl methyl ether |
| IUPAC Name | dimethoxymethane |
| InChI Key | NKDDWNXOKDWJAK-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |
4'-Isobutylacetophenone 96.0+%, TCI America™
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CAS: 38861-78-8 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.259 MDL Number: MFCD00027393 InChI Key: KEAGRYYGYWZVPC-UHFFFAOYSA-N Synonym: 4'-isobutylacetophenone,4-isobutylacetophenone,p-iso-butylacetophenone,1-4-isobutylphenyl ethanone,p-isobutylacetophenone,ethanone, 1-4-2-methylpropyl phenyl,1-4-2-methylpropyl phenyl ethan-1-one,acetophenone, 4-isobutyl,1-4-2-methylpropyl phenyl ethanone,unii-aml715rd20 PubChem CID: 93214 IUPAC Name: 1-[4-(2-methylpropyl)phenyl]ethanone SMILES: CC(C)CC1=CC=C(C=C1)C(=O)C
| PubChem CID | 93214 |
|---|---|
| CAS | 38861-78-8 |
| Molecular Weight (g/mol) | 176.259 |
| MDL Number | MFCD00027393 |
| SMILES | CC(C)CC1=CC=C(C=C1)C(=O)C |
| Synonym | 4'-isobutylacetophenone,4-isobutylacetophenone,p-iso-butylacetophenone,1-4-isobutylphenyl ethanone,p-isobutylacetophenone,ethanone, 1-4-2-methylpropyl phenyl,1-4-2-methylpropyl phenyl ethan-1-one,acetophenone, 4-isobutyl,1-4-2-methylpropyl phenyl ethanone,unii-aml715rd20 |
| IUPAC Name | 1-[4-(2-methylpropyl)phenyl]ethanone |
| InChI Key | KEAGRYYGYWZVPC-UHFFFAOYSA-N |
| Molecular Formula | C12H16O |
Hexyl Acetoacetate 97.0+%, TCI America™
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CAS: 13562-84-0 Molecular Formula: C10H18O3 Molecular Weight (g/mol): 186.25 MDL Number: MFCD00059440 InChI Key: QNZLAXONNWOLJY-UHFFFAOYSA-N Synonym: Acetoacetic Acid Hexyl Ester PubChem CID: 83577 IUPAC Name: hexyl 3-oxobutanoate SMILES: CCCCCCOC(=O)CC(C)=O
| PubChem CID | 83577 |
|---|---|
| CAS | 13562-84-0 |
| Molecular Weight (g/mol) | 186.25 |
| MDL Number | MFCD00059440 |
| SMILES | CCCCCCOC(=O)CC(C)=O |
| Synonym | Acetoacetic Acid Hexyl Ester |
| IUPAC Name | hexyl 3-oxobutanoate |
| InChI Key | QNZLAXONNWOLJY-UHFFFAOYSA-N |
| Molecular Formula | C10H18O3 |
Riboflavin, TCI America™
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CAS: 83-88-5 Molecular Formula: C17H20N4O6 Molecular Weight (g/mol): 376.37 MDL Number: MFCD00005022 InChI Key: AUNGANRZJHBGPY-QTZZOOGMNA-N Synonym: riboflavin,vitamin b2,lactoflavin,riboflavine,vitamin g,lactoflavine,--riboflavin,beflavin,beflavine,flavaxin PubChem CID: 71310809 IUPAC Name: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione SMILES: CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1
| PubChem CID | 71310809 |
|---|---|
| CAS | 83-88-5 |
| Molecular Weight (g/mol) | 376.37 |
| MDL Number | MFCD00005022 |
| SMILES | CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1 |
| Synonym | riboflavin,vitamin b2,lactoflavin,riboflavine,vitamin g,lactoflavine,--riboflavin,beflavin,beflavine,flavaxin |
| IUPAC Name | 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione |
| InChI Key | AUNGANRZJHBGPY-QTZZOOGMNA-N |
| Molecular Formula | C17H20N4O6 |
5-Acetyl-2-bromopyridine 98.0+%, TCI America™
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CAS: 139042-59-4 Molecular Formula: C7H6BrNO Molecular Weight (g/mol): 200.035 MDL Number: MFCD04974527 InChI Key: MUKKGHQBUKOMTD-UHFFFAOYSA-N Synonym: 5-acetyl-2-bromopyridine,1-6-bromopyridin-3-yl ethanone,2-bromo-5-acetylpyridine,1-6-bromo-pyridin-3-yl-ethanone,1-6-bromopyridin-3-yl ethan-1-one,3-acetyl-6-bromopyridine,ethanone, 1-6-bromo-3-pyridinyl,1-6-bromopyrid-3-yl ethanone,1-6-bromo-3-pyridyl ethanone,acmc-209cij PubChem CID: 15668195 IUPAC Name: 1-(6-bromopyridin-3-yl)ethanone SMILES: CC(=O)C1=CN=C(C=C1)Br
| PubChem CID | 15668195 |
|---|---|
| CAS | 139042-59-4 |
| Molecular Weight (g/mol) | 200.035 |
| MDL Number | MFCD04974527 |
| SMILES | CC(=O)C1=CN=C(C=C1)Br |
| Synonym | 5-acetyl-2-bromopyridine,1-6-bromopyridin-3-yl ethanone,2-bromo-5-acetylpyridine,1-6-bromo-pyridin-3-yl-ethanone,1-6-bromopyridin-3-yl ethan-1-one,3-acetyl-6-bromopyridine,ethanone, 1-6-bromo-3-pyridinyl,1-6-bromopyrid-3-yl ethanone,1-6-bromo-3-pyridyl ethanone,acmc-209cij |
| IUPAC Name | 1-(6-bromopyridin-3-yl)ethanone |
| InChI Key | MUKKGHQBUKOMTD-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO |
Hexaethylene Glycol Monododecyl Ether 97.0+%, TCI America™
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CAS: 3055-96-7 Molecular Formula: C24H50O7 Molecular Weight (g/mol): 450.657 MDL Number: MFCD00042660 InChI Key: OJCFEGKCRWEVSN-UHFFFAOYSA-N PubChem CID: 18282 IUPAC Name: 2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol SMILES: CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
| PubChem CID | 18282 |
|---|---|
| CAS | 3055-96-7 |
| Molecular Weight (g/mol) | 450.657 |
| MDL Number | MFCD00042660 |
| SMILES | CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO |
| IUPAC Name | 2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
| InChI Key | OJCFEGKCRWEVSN-UHFFFAOYSA-N |
| Molecular Formula | C24H50O7 |
3-Acetylpyridine N-Oxide 98.0+%, TCI America™
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CAS: 14188-94-4 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00955798 InChI Key: AZFMFGIMDGBJRR-UHFFFAOYSA-N PubChem CID: 123338 IUPAC Name: 1-(1-oxidopyridin-1-ium-3-yl)ethanone SMILES: CC(=O)C1=C[N+](=CC=C1)[O-]
| PubChem CID | 123338 |
|---|---|
| CAS | 14188-94-4 |
| Molecular Weight (g/mol) | 137.138 |
| MDL Number | MFCD00955798 |
| SMILES | CC(=O)C1=C[N+](=CC=C1)[O-] |
| IUPAC Name | 1-(1-oxidopyridin-1-ium-3-yl)ethanone |
| InChI Key | AZFMFGIMDGBJRR-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
6-Chloro-2-pyridinecarboxaldehyde 98.0+%, TCI America™
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CAS: 54087-03-5 Molecular Formula: C6H4ClNO Molecular Weight (g/mol): 141.554 MDL Number: MFCD09832941 InChI Key: XTRLIKXVRGWTKW-UHFFFAOYSA-N Synonym: 6-chloropicolinaldehyde,6-chloro-2-pyridinecarbaldehyde,6-chloro-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-chloro,2-chloro-6-formylpyridine,6-chloro-2-formylpyridine,2-chloropyridine-6-carboxaldehyde,6-chloro-2-pyridinecarboxaldehyde,pubchem13323,chloropyridinecarbaldehyde PubChem CID: 10796848 IUPAC Name: 6-chloropyridine-2-carbaldehyde SMILES: C1=CC(=NC(=C1)Cl)C=O
| PubChem CID | 10796848 |
|---|---|
| CAS | 54087-03-5 |
| Molecular Weight (g/mol) | 141.554 |
| MDL Number | MFCD09832941 |
| SMILES | C1=CC(=NC(=C1)Cl)C=O |
| Synonym | 6-chloropicolinaldehyde,6-chloro-2-pyridinecarbaldehyde,6-chloro-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-chloro,2-chloro-6-formylpyridine,6-chloro-2-formylpyridine,2-chloropyridine-6-carboxaldehyde,6-chloro-2-pyridinecarboxaldehyde,pubchem13323,chloropyridinecarbaldehyde |
| IUPAC Name | 6-chloropyridine-2-carbaldehyde |
| InChI Key | XTRLIKXVRGWTKW-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClNO |
2-Benzyl-1,3-dioxolane 98.0+%, TCI America™
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CAS: 101-49-5 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00003215 InChI Key: SSZACLYPEFCREM-UHFFFAOYSA-N Synonym: 2-benzyldioxolan,1,3-dioxolane, 2-phenylmethyl,phenylacetaldehyde glycol acetal,phenylacetaldehyde ethylene acetal,1,3-dioxolane, 2-benzyl,phenylacetaldehyde ethyleneglycol acetal,phenylacetaldehyde ethylene glycol acetal,1,3-dioxolane,2-phenylmethyl,benzyldioxolan,1, 2-benzyl PubChem CID: 7562 IUPAC Name: 2-benzyl-1,3-dioxolane SMILES: C1COC(O1)CC2=CC=CC=C2
| PubChem CID | 7562 |
|---|---|
| CAS | 101-49-5 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00003215 |
| SMILES | C1COC(O1)CC2=CC=CC=C2 |
| Synonym | 2-benzyldioxolan,1,3-dioxolane, 2-phenylmethyl,phenylacetaldehyde glycol acetal,phenylacetaldehyde ethylene acetal,1,3-dioxolane, 2-benzyl,phenylacetaldehyde ethyleneglycol acetal,phenylacetaldehyde ethylene glycol acetal,1,3-dioxolane,2-phenylmethyl,benzyldioxolan,1, 2-benzyl |
| IUPAC Name | 2-benzyl-1,3-dioxolane |
| InChI Key | SSZACLYPEFCREM-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |