Organooxygen compounds
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(2-Chlorobenzoyl)acetonitrile 97.0+%, TCI America™
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CAS: 40018-25-5 Molecular Formula: C9H6ClNO Molecular Weight (g/mol): 179.603 MDL Number: MFCD00051624 InChI Key: SBSWHTFHLWSSQS-UHFFFAOYSA-N Synonym: 2-chlorobenzoylacetonitrile,3-2-chlorophenyl-3-oxopropanenitrile,2-chlorobenzoyl acetonitrile,pubchem12047,acmc-1arra,0-chlorocyanoacetophenone,o-chlorobenzoyl acetonitrile,2'-chloro-2-cyanoacetophenone,timtec-bb sbb019129,2-chlorobenzoylacetonitirle PubChem CID: 2734201 IUPAC Name: 3-(2-chlorophenyl)-3-oxopropanenitrile SMILES: C1=CC=C(C(=C1)C(=O)CC#N)Cl
| PubChem CID | 2734201 |
|---|---|
| CAS | 40018-25-5 |
| Molecular Weight (g/mol) | 179.603 |
| MDL Number | MFCD00051624 |
| SMILES | C1=CC=C(C(=C1)C(=O)CC#N)Cl |
| Synonym | 2-chlorobenzoylacetonitrile,3-2-chlorophenyl-3-oxopropanenitrile,2-chlorobenzoyl acetonitrile,pubchem12047,acmc-1arra,0-chlorocyanoacetophenone,o-chlorobenzoyl acetonitrile,2'-chloro-2-cyanoacetophenone,timtec-bb sbb019129,2-chlorobenzoylacetonitirle |
| IUPAC Name | 3-(2-chlorophenyl)-3-oxopropanenitrile |
| InChI Key | SBSWHTFHLWSSQS-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO |
1-Adamantanemethanol 99.0+%, TCI America™
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CAS: 770-71-8 Molecular Formula: C11H18O Molecular Weight (g/mol): 166.264 MDL Number: MFCD00074751 InChI Key: MDVGOOIANLZFCP-UHFFFAOYSA-N Synonym: 1-adamantanemethanol,adamantan-1-ylmethanol,1-adamantane methanol,1-hydroxymethyl adamantane,adamantane-1-methanol,adamantan-1-yl-methanol,1-hydroxymethyladamantane,tricyclo 3.3.1.1'3,7 dec-1-ylmethanol,adamantan-1-yl methanol,tricyclo 3.3.1.13,7 decanemethanol PubChem CID: 64556 IUPAC Name: 1-adamantylmethanol SMILES: C1C2CC3CC1CC(C2)(C3)CO
| PubChem CID | 64556 |
|---|---|
| CAS | 770-71-8 |
| Molecular Weight (g/mol) | 166.264 |
| MDL Number | MFCD00074751 |
| SMILES | C1C2CC3CC1CC(C2)(C3)CO |
| Synonym | 1-adamantanemethanol,adamantan-1-ylmethanol,1-adamantane methanol,1-hydroxymethyl adamantane,adamantane-1-methanol,adamantan-1-yl-methanol,1-hydroxymethyladamantane,tricyclo 3.3.1.1'3,7 dec-1-ylmethanol,adamantan-1-yl methanol,tricyclo 3.3.1.13,7 decanemethanol |
| IUPAC Name | 1-adamantylmethanol |
| InChI Key | MDVGOOIANLZFCP-UHFFFAOYSA-N |
| Molecular Formula | C11H18O |
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 |
Diethyl Isobutylmalonate 98.0+%, TCI America™
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CAS: 10203-58-4 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.277 MDL Number: MFCD00026869 InChI Key: OFRFGNSZCYDFOH-UHFFFAOYSA-N Synonym: diethyl isobutylmalonate,isobutylmalonic acid diethyl ester,diethyl 2-isobutylmalonate,propanedioic acid, 2-methylpropyl-, diethyl ester,malonic acid, isobutyl-, diethyl ester,diethyl 2-2-methylpropyl propanedioate,ethyl 2-carbethoxy-4-methyl pentanoate,propanedioic acid, 2-2-methylpropyl-, 1,3-diethyl ester,1,3-diethyl 2-2-methylpropyl propanedioate,diethylisobutylmalonate PubChem CID: 25047 IUPAC Name: diethyl 2-(2-methylpropyl)propanedioate SMILES: CCOC(=O)C(CC(C)C)C(=O)OCC
| PubChem CID | 25047 |
|---|---|
| CAS | 10203-58-4 |
| Molecular Weight (g/mol) | 216.277 |
| MDL Number | MFCD00026869 |
| SMILES | CCOC(=O)C(CC(C)C)C(=O)OCC |
| Synonym | diethyl isobutylmalonate,isobutylmalonic acid diethyl ester,diethyl 2-isobutylmalonate,propanedioic acid, 2-methylpropyl-, diethyl ester,malonic acid, isobutyl-, diethyl ester,diethyl 2-2-methylpropyl propanedioate,ethyl 2-carbethoxy-4-methyl pentanoate,propanedioic acid, 2-2-methylpropyl-, 1,3-diethyl ester,1,3-diethyl 2-2-methylpropyl propanedioate,diethylisobutylmalonate |
| IUPAC Name | diethyl 2-(2-methylpropyl)propanedioate |
| InChI Key | OFRFGNSZCYDFOH-UHFFFAOYSA-N |
| Molecular Formula | C11H20O4 |
4-Octadecyloxybenzaldehyde 95.0+%, TCI America™
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CAS: 4105-95-7 Molecular Formula: C25H42O2 Molecular Weight (g/mol): 374.609 MDL Number: MFCD00143357 InChI Key: AKTNFINCBVUXEH-UHFFFAOYSA-N PubChem CID: 4433898 IUPAC Name: 4-octadecoxybenzaldehyde SMILES: CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C=O
| PubChem CID | 4433898 |
|---|---|
| CAS | 4105-95-7 |
| Molecular Weight (g/mol) | 374.609 |
| MDL Number | MFCD00143357 |
| SMILES | CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C=O |
| IUPAC Name | 4-octadecoxybenzaldehyde |
| InChI Key | AKTNFINCBVUXEH-UHFFFAOYSA-N |
| Molecular Formula | C25H42O2 |
5-Methoxyisatin 95.0+%, TCI America™
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CAS: 39755-95-8 Molecular Formula: C9H7NO3 Molecular Weight (g/mol): 177.16 MDL Number: MFCD00169023 InChI Key: DMHGXMPXHPOXBF-UHFFFAOYSA-N Synonym: 5-methoxyisatin,5-methoxyindoline-2,3-dione,5-methoxy-2,3-indolinedione,1h-indole-2,3-dione, 5-methoxy,5-methoxy-indole-2,3-dione,5-methoxy isatin,5-methoxyindole-2,3-dione,5-methoxy-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-methoxy,1h-indole-2,3-dione, 5-methoxy-9ci PubChem CID: 38333 IUPAC Name: 5-methoxy-2,3-dihydro-1H-indole-2,3-dione SMILES: COC1=CC=C2NC(=O)C(=O)C2=C1
| PubChem CID | 38333 |
|---|---|
| CAS | 39755-95-8 |
| Molecular Weight (g/mol) | 177.16 |
| MDL Number | MFCD00169023 |
| SMILES | COC1=CC=C2NC(=O)C(=O)C2=C1 |
| Synonym | 5-methoxyisatin,5-methoxyindoline-2,3-dione,5-methoxy-2,3-indolinedione,1h-indole-2,3-dione, 5-methoxy,5-methoxy-indole-2,3-dione,5-methoxy isatin,5-methoxyindole-2,3-dione,5-methoxy-2,3-dihydro-1h-indole-2,3-dione,indole-2,3-dione, 5-methoxy,1h-indole-2,3-dione, 5-methoxy-9ci |
| IUPAC Name | 5-methoxy-2,3-dihydro-1H-indole-2,3-dione |
| InChI Key | DMHGXMPXHPOXBF-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO3 |
2-Acetamidoethanol 90.0+%, TCI America™
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CAS: 142-26-7 Molecular Formula: C4H9NO2 Molecular Weight (g/mol): 103.121 MDL Number: MFCD00002836 InChI Key: PVCJKHHOXFKFRP-UHFFFAOYSA-N Synonym: n-2-hydroxyethyl acetamide,n-acetylethanolamine,2-acetamidoethanol,acetamide, n-2-hydroxyethyl,acetylcolamine,2-acetylaminoethanol,acetamide mea,n-ethanolacetamide,n-acetyl-2-aminoethanol,hydroxyethyl acetamide PubChem CID: 8880 ChEBI: CHEBI:74687 IUPAC Name: N-(2-hydroxyethyl)acetamide SMILES: CC(=O)NCCO
| PubChem CID | 8880 |
|---|---|
| CAS | 142-26-7 |
| Molecular Weight (g/mol) | 103.121 |
| ChEBI | CHEBI:74687 |
| MDL Number | MFCD00002836 |
| SMILES | CC(=O)NCCO |
| Synonym | n-2-hydroxyethyl acetamide,n-acetylethanolamine,2-acetamidoethanol,acetamide, n-2-hydroxyethyl,acetylcolamine,2-acetylaminoethanol,acetamide mea,n-ethanolacetamide,n-acetyl-2-aminoethanol,hydroxyethyl acetamide |
| IUPAC Name | N-(2-hydroxyethyl)acetamide |
| InChI Key | PVCJKHHOXFKFRP-UHFFFAOYSA-N |
| Molecular Formula | C4H9NO2 |
Ethyl 3,4-Bis(2-methoxyethoxy)benzoate 98.0+%, TCI America™
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CAS: 183322-16-9 Molecular Formula: C15H22O6 Molecular Weight (g/mol): 298.335 MDL Number: MFCD01935284 InChI Key: VGFZRAVMWXHEJB-UHFFFAOYSA-N Synonym: 3,4-Bis(2-methoxyethoxy)benzoic Acid Ethyl Ester PubChem CID: 2808992 IUPAC Name: ethyl 3,4-bis(2-methoxyethoxy)benzoate SMILES: CCOC(=O)C1=CC(=C(C=C1)OCCOC)OCCOC
| PubChem CID | 2808992 |
|---|---|
| CAS | 183322-16-9 |
| Molecular Weight (g/mol) | 298.335 |
| MDL Number | MFCD01935284 |
| SMILES | CCOC(=O)C1=CC(=C(C=C1)OCCOC)OCCOC |
| Synonym | 3,4-Bis(2-methoxyethoxy)benzoic Acid Ethyl Ester |
| IUPAC Name | ethyl 3,4-bis(2-methoxyethoxy)benzoate |
| InChI Key | VGFZRAVMWXHEJB-UHFFFAOYSA-N |
| Molecular Formula | C15H22O6 |
4-Isopropylcyclohexanol (cis- and trans- mixture) 98.0+%, TCI America™
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CAS: 4621-04-9 Molecular Formula: C9H18O Molecular Weight (g/mol): 142.24 MDL Number: MFCD00043476 InChI Key: DKKRDMLKVSKFMJ-UHFFFAOYSA-N PubChem CID: 20739 IUPAC Name: 4-propan-2-ylcyclohexan-1-ol SMILES: CC(C)C1CCC(CC1)O
| PubChem CID | 20739 |
|---|---|
| CAS | 4621-04-9 |
| Molecular Weight (g/mol) | 142.24 |
| MDL Number | MFCD00043476 |
| SMILES | CC(C)C1CCC(CC1)O |
| IUPAC Name | 4-propan-2-ylcyclohexan-1-ol |
| InChI Key | DKKRDMLKVSKFMJ-UHFFFAOYSA-N |
| Molecular Formula | C9H18O |
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 |
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 |
2',6'-Dimethoxyacetophenone 98.0+%, TCI America™
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CAS: 2040-04-2 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00008729 InChI Key: XEUGKOFTNAYMMX-UHFFFAOYSA-N Synonym: 2',6'-dimethoxyacetophenone,1-2,6-dimethoxyphenyl ethanone,2,6-dimethoxyacetophenone,acetophenone, 2',6'-dimethoxy,1-2,6-dimethoxyphenyl ethan-1-one,ethanone, 1-2,6-dimethoxyphenyl,usaf k-2801,2,6-dimethoxy acetophenone,1-acetyl-2,6-dimethoxybenzene,pubchem3380 PubChem CID: 16267 IUPAC Name: 1-(2,6-dimethoxyphenyl)ethanone SMILES: CC(=O)C1=C(C=CC=C1OC)OC
| PubChem CID | 16267 |
|---|---|
| CAS | 2040-04-2 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD00008729 |
| SMILES | CC(=O)C1=C(C=CC=C1OC)OC |
| Synonym | 2',6'-dimethoxyacetophenone,1-2,6-dimethoxyphenyl ethanone,2,6-dimethoxyacetophenone,acetophenone, 2',6'-dimethoxy,1-2,6-dimethoxyphenyl ethan-1-one,ethanone, 1-2,6-dimethoxyphenyl,usaf k-2801,2,6-dimethoxy acetophenone,1-acetyl-2,6-dimethoxybenzene,pubchem3380 |
| IUPAC Name | 1-(2,6-dimethoxyphenyl)ethanone |
| InChI Key | XEUGKOFTNAYMMX-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
2-Propionylthiophene 98.0+%, TCI America™
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CAS: 13679-75-9 Molecular Formula: C7H8OS Molecular Weight (g/mol): 140.2 MDL Number: MFCD00005446 InChI Key: MFPZQZZWAMAHOY-UHFFFAOYSA-N Synonym: 1-2-thienyl-1-propanone,2-propionylthiophene,1-thiophen-2-yl propan-1-one,1-2-thienyl propan-1-one,ethyl 2-thienyl ketone,2-propanoylthiophene,1-propanone, 1-2-thienyl,unii-ny658tvp5m,ethyl thienyl ketone,ethyl-2-thienyl ketone PubChem CID: 26179 IUPAC Name: 1-thiophen-2-ylpropan-1-one SMILES: CCC(=O)C1=CC=CS1
| PubChem CID | 26179 |
|---|---|
| CAS | 13679-75-9 |
| Molecular Weight (g/mol) | 140.2 |
| MDL Number | MFCD00005446 |
| SMILES | CCC(=O)C1=CC=CS1 |
| Synonym | 1-2-thienyl-1-propanone,2-propionylthiophene,1-thiophen-2-yl propan-1-one,1-2-thienyl propan-1-one,ethyl 2-thienyl ketone,2-propanoylthiophene,1-propanone, 1-2-thienyl,unii-ny658tvp5m,ethyl thienyl ketone,ethyl-2-thienyl ketone |
| IUPAC Name | 1-thiophen-2-ylpropan-1-one |
| InChI Key | MFPZQZZWAMAHOY-UHFFFAOYSA-N |
| Molecular Formula | C7H8OS |
1,1,1,2,2,3,4,5,5,5-Decafluoro-3-methoxy-4-(trifluoromethyl)pentane 98.0+%, TCI America™
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CAS: 132182-92-4 Molecular Formula: C7H3F13O Molecular Weight (g/mol): 350.079 MDL Number: MFCD07784227 InChI Key: QKAGYSDHEJITFV-UHFFFAOYSA-N PubChem CID: 14689855 IUPAC Name: 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane SMILES: COC(C(C(F)(F)F)(C(F)(F)F)F)(C(C(F)(F)F)(F)F)F
| PubChem CID | 14689855 |
|---|---|
| CAS | 132182-92-4 |
| Molecular Weight (g/mol) | 350.079 |
| MDL Number | MFCD07784227 |
| SMILES | COC(C(C(F)(F)F)(C(F)(F)F)F)(C(C(F)(F)F)(F)F)F |
| IUPAC Name | 1,1,1,2,2,3,4,5,5,5-decafluoro-3-methoxy-4-(trifluoromethyl)pentane |
| InChI Key | QKAGYSDHEJITFV-UHFFFAOYSA-N |
| Molecular Formula | C7H3F13O |
N,N,N',N'-Tetrabutylmalonamide 97.0+%, TCI America™
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CAS: 14287-98-0 Molecular Formula: C19H38N2O2 Molecular Weight (g/mol): 326.53 MDL Number: MFCD00089288 InChI Key: QTVRIQFMPJRJAK-UHFFFAOYSA-N PubChem CID: 3494509 IUPAC Name: N,N,N',N'-tetrabutylpropanediamide SMILES: CCCCN(CCCC)C(=O)CC(=O)N(CCCC)CCCC
| PubChem CID | 3494509 |
|---|---|
| CAS | 14287-98-0 |
| Molecular Weight (g/mol) | 326.53 |
| MDL Number | MFCD00089288 |
| SMILES | CCCCN(CCCC)C(=O)CC(=O)N(CCCC)CCCC |
| IUPAC Name | N,N,N',N'-tetrabutylpropanediamide |
| InChI Key | QTVRIQFMPJRJAK-UHFFFAOYSA-N |
| Molecular Formula | C19H38N2O2 |