Organooxygen compounds
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Ethyl Benzoylacetate 95.0+%, TCI America™
CAS: 94-02-0 Molecular Formula: C11H12O3 Molecular Weight (g/mol): 192.214 MDL Number: MFCD00009196 InChI Key: GKKZMYDNDDMXSE-UHFFFAOYSA-N Synonym: ethyl benzoylacetate,benzoylacetic acid ethyl ester,ethyl benzoyl acetate,acetic acid, benzoyl-, ethyl ester,ethyl beta-oxobenzenepropanoate,ethylbenzoylacetate,benzoylacetic acid, ethyl ester,ethyl 3-phenyl-3-oxopropanoate,benzenepropanoic acid, beta-oxo-, ethyl ester,ethyl 3-oxo-3-phenylpropionate PubChem CID: 7170 IUPAC Name: ethyl 3-oxo-3-phenylpropanoate SMILES: CCOC(=O)CC(=O)C1=CC=CC=C1
| PubChem CID | 7170 |
|---|---|
| CAS | 94-02-0 |
| Molecular Weight (g/mol) | 192.214 |
| MDL Number | MFCD00009196 |
| SMILES | CCOC(=O)CC(=O)C1=CC=CC=C1 |
| Synonym | ethyl benzoylacetate,benzoylacetic acid ethyl ester,ethyl benzoyl acetate,acetic acid, benzoyl-, ethyl ester,ethyl beta-oxobenzenepropanoate,ethylbenzoylacetate,benzoylacetic acid, ethyl ester,ethyl 3-phenyl-3-oxopropanoate,benzenepropanoic acid, beta-oxo-, ethyl ester,ethyl 3-oxo-3-phenylpropionate |
| IUPAC Name | ethyl 3-oxo-3-phenylpropanoate |
| InChI Key | GKKZMYDNDDMXSE-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3 |
1,1,3,3-Tetramethoxypropane 98.0+%, TCI America™
CAS: 102-52-3 Molecular Formula: C7H16O4 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008488 InChI Key: XHTYQFMRBQUCPX-UHFFFAOYSA-N Synonym: propane, 1,1,3,3-tetramethoxy,tetramethoxypropane,malonaldehyde bis dimethyl acetal,malonaldehyde tetramethyl acetal,malonaldehyde, bis dimethyl acetal,1,1,3,3-tetramethoxy-propane,malonaldehyde bis dime,1,3,3-tetramethoxypropane,ksc174o0b,propane,1,3,3-tetramethoxy PubChem CID: 66019 IUPAC Name: 1,1,3,3-tetramethoxypropane SMILES: COC(CC(OC)OC)OC
| PubChem CID | 66019 |
|---|---|
| CAS | 102-52-3 |
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00008488 |
| SMILES | COC(CC(OC)OC)OC |
| Synonym | propane, 1,1,3,3-tetramethoxy,tetramethoxypropane,malonaldehyde bis dimethyl acetal,malonaldehyde tetramethyl acetal,malonaldehyde, bis dimethyl acetal,1,1,3,3-tetramethoxy-propane,malonaldehyde bis dime,1,3,3-tetramethoxypropane,ksc174o0b,propane,1,3,3-tetramethoxy |
| IUPAC Name | 1,1,3,3-tetramethoxypropane |
| InChI Key | XHTYQFMRBQUCPX-UHFFFAOYSA-N |
| Molecular Formula | C7H16O4 |
3,3'-Oxydipropionitrile 98.0+%, TCI America™
CAS: 1656-48-0 Molecular Formula: C6H8N2O Molecular Weight (g/mol): 124.143 MDL Number: MFCD00001960 InChI Key: BCGCCTGNWPKXJL-UHFFFAOYSA-N Synonym: bis 2-cyanoethyl ether,2-cyanoethyl ether,3,3'-oxydipropionitrile,propanenitrile, 3,3'-oxybis,ether, bis 2-cyanoethyl,2,2'-dicyanodiethyl ether,propionitrile, 3,3'-oxydi,3-2-cyanoethoxy propanenitrile,beta,beta'-dicyanodiethyl ether,unii-uf1uoo2pho PubChem CID: 15452 IUPAC Name: 3-(2-cyanoethoxy)propanenitrile SMILES: C(COCCC#N)C#N
| PubChem CID | 15452 |
|---|---|
| CAS | 1656-48-0 |
| Molecular Weight (g/mol) | 124.143 |
| MDL Number | MFCD00001960 |
| SMILES | C(COCCC#N)C#N |
| Synonym | bis 2-cyanoethyl ether,2-cyanoethyl ether,3,3'-oxydipropionitrile,propanenitrile, 3,3'-oxybis,ether, bis 2-cyanoethyl,2,2'-dicyanodiethyl ether,propionitrile, 3,3'-oxydi,3-2-cyanoethoxy propanenitrile,beta,beta'-dicyanodiethyl ether,unii-uf1uoo2pho |
| IUPAC Name | 3-(2-cyanoethoxy)propanenitrile |
| InChI Key | BCGCCTGNWPKXJL-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O |
2-tert-Butylanthraquinone 98.0+%, TCI America™
CAS: 84-47-9 Molecular Formula: C18H16O2 Molecular Weight (g/mol): 264.32 MDL Number: MFCD00001232 InChI Key: YTPSFXZMJKMUJE-UHFFFAOYSA-N Synonym: 2-tert-butylanthraquinone,9,10-anthracenedione, 2-1,1-dimethylethyl,2-tert-butyl-9,10-anthraquinone,2-tert-butyl anthracene-9,10-dione,anthraquinone, 2-tert-butyl,beta-tert-butylanthraquinone,2-t-butylanthraquinone,.beta.-tert-butylanthraquinone,acmc-209puu,2-tert-butyl-anthrachinon PubChem CID: 66532 IUPAC Name: 2-tert-butyl-9,10-dihydroanthracene-9,10-dione SMILES: CC(C)(C)C1=CC=C2C(=O)C3=CC=CC=C3C(=O)C2=C1
| PubChem CID | 66532 |
|---|---|
| CAS | 84-47-9 |
| Molecular Weight (g/mol) | 264.32 |
| MDL Number | MFCD00001232 |
| SMILES | CC(C)(C)C1=CC=C2C(=O)C3=CC=CC=C3C(=O)C2=C1 |
| Synonym | 2-tert-butylanthraquinone,9,10-anthracenedione, 2-1,1-dimethylethyl,2-tert-butyl-9,10-anthraquinone,2-tert-butyl anthracene-9,10-dione,anthraquinone, 2-tert-butyl,beta-tert-butylanthraquinone,2-t-butylanthraquinone,.beta.-tert-butylanthraquinone,acmc-209puu,2-tert-butyl-anthrachinon |
| IUPAC Name | 2-tert-butyl-9,10-dihydroanthracene-9,10-dione |
| InChI Key | YTPSFXZMJKMUJE-UHFFFAOYSA-N |
| Molecular Formula | C18H16O2 |
4'-Butoxyacetophenone 98.0+%, TCI America™
CAS: 5736-89-0 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00027200 InChI Key: YYLCJWIQUFHYMY-UHFFFAOYSA-N Synonym: 1-4-butoxyphenyl ethanone,4'-butoxyacetophenone,4-butoxyacetophenone,1-4-butoxyphenyl ethan-1-one,ethanone, 1-4-butoxyphenyl,p-butoxyacetophenone,4'-n-butoxy acetophenone,1-acetyl-4-butoxybenzene,p-butoxyacetophenon,p-n butoxyacetophenone PubChem CID: 79814 IUPAC Name: 1-(4-butoxyphenyl)ethanone SMILES: CCCCOC1=CC=C(C=C1)C(=O)C
| PubChem CID | 79814 |
|---|---|
| CAS | 5736-89-0 |
| Molecular Weight (g/mol) | 192.258 |
| MDL Number | MFCD00027200 |
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)C |
| Synonym | 1-4-butoxyphenyl ethanone,4'-butoxyacetophenone,4-butoxyacetophenone,1-4-butoxyphenyl ethan-1-one,ethanone, 1-4-butoxyphenyl,p-butoxyacetophenone,4'-n-butoxy acetophenone,1-acetyl-4-butoxybenzene,p-butoxyacetophenon,p-n butoxyacetophenone |
| IUPAC Name | 1-(4-butoxyphenyl)ethanone |
| InChI Key | YYLCJWIQUFHYMY-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |
1-Bromo-3,3-dimethyl-2-butanone 95.0+%, TCI America™
CAS: 5469-26-1 Molecular Formula: C6H11BrO Molecular Weight (g/mol): 179.057 MDL Number: MFCD00000206 InChI Key: SAIRZMWXVJEBMO-UHFFFAOYSA-N Synonym: 1-bromopinacolone,bromopinacolone,1-bromo-3,3-dimethyl-2-butanone,1-bromopinacolin,bromopinacolin,bromomethyl tert-butyl ketone,pivaloylmethyl bromide,tert-butyl bromomethyl ketone,2-butanone, 1-bromo-3,3-dimethyl,omega-brompinakolin german PubChem CID: 21642 IUPAC Name: 1-bromo-3,3-dimethylbutan-2-one SMILES: CC(C)(C)C(=O)CBr
| PubChem CID | 21642 |
|---|---|
| CAS | 5469-26-1 |
| Molecular Weight (g/mol) | 179.057 |
| MDL Number | MFCD00000206 |
| SMILES | CC(C)(C)C(=O)CBr |
| Synonym | 1-bromopinacolone,bromopinacolone,1-bromo-3,3-dimethyl-2-butanone,1-bromopinacolin,bromopinacolin,bromomethyl tert-butyl ketone,pivaloylmethyl bromide,tert-butyl bromomethyl ketone,2-butanone, 1-bromo-3,3-dimethyl,omega-brompinakolin german |
| IUPAC Name | 1-bromo-3,3-dimethylbutan-2-one |
| InChI Key | SAIRZMWXVJEBMO-UHFFFAOYSA-N |
| Molecular Formula | C6H11BrO |
2-Butoxypyridine 97.0+%, TCI America™
CAS: 27361-16-6 Molecular Formula: C9H13NO Molecular Weight (g/mol): 151.209 MDL Number: MFCD00006267 InChI Key: OFLSKXBALZCMCX-UHFFFAOYSA-N Synonym: 2-n-butoxypyridine,butyl 2-pyridyl ether,pyridine, 2-butoxy,acmc-209gwm,2-butoxypyridine,2-butoxypyridine, tech. PubChem CID: 95701 IUPAC Name: 2-butoxypyridine SMILES: CCCCOC1=CC=CC=N1
| PubChem CID | 95701 |
|---|---|
| CAS | 27361-16-6 |
| Molecular Weight (g/mol) | 151.209 |
| MDL Number | MFCD00006267 |
| SMILES | CCCCOC1=CC=CC=N1 |
| Synonym | 2-n-butoxypyridine,butyl 2-pyridyl ether,pyridine, 2-butoxy,acmc-209gwm,2-butoxypyridine,2-butoxypyridine, tech. |
| IUPAC Name | 2-butoxypyridine |
| InChI Key | OFLSKXBALZCMCX-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO |
10-Bromo-1-decanol 85.0+%, TCI America™
CAS: 53463-68-6 Molecular Formula: C10H21BrO Molecular Weight (g/mol): 237.18 MDL Number: MFCD00041681 InChI Key: LGZMUUBPTDRQQM-UHFFFAOYSA-N Synonym: 10-bromo-1-decanol,10-bromodecanol,1-decanol, 10-bromo,10-hydroxy-1-bromo decane,1-bromodecan-10-ol,10-bromodecane-1-ol,10-bromo-decan-1-ol,decamethylene bromohydrin,10-hydroxy1-bromo decane,acmc-209l7p PubChem CID: 104507 IUPAC Name: 10-bromodecan-1-ol SMILES: OCCCCCCCCCCBr
| PubChem CID | 104507 |
|---|---|
| CAS | 53463-68-6 |
| Molecular Weight (g/mol) | 237.18 |
| MDL Number | MFCD00041681 |
| SMILES | OCCCCCCCCCCBr |
| Synonym | 10-bromo-1-decanol,10-bromodecanol,1-decanol, 10-bromo,10-hydroxy-1-bromo decane,1-bromodecan-10-ol,10-bromodecane-1-ol,10-bromo-decan-1-ol,decamethylene bromohydrin,10-hydroxy1-bromo decane,acmc-209l7p |
| IUPAC Name | 10-bromodecan-1-ol |
| InChI Key | LGZMUUBPTDRQQM-UHFFFAOYSA-N |
| Molecular Formula | C10H21BrO |
Bis(1,4-phenylene)-34-crown 10-Ether, TCI America™
CAS: 53914-95-7 Molecular Formula: C28H40O10 Molecular Weight (g/mol): 536.618 MDL Number: MFCD03846057 InChI Key: REKDBTBSNFSNGP-UHFFFAOYSA-N PubChem CID: 635862 SMILES: C1COCCOC2=CC=C(C=C2)OCCOCCOCCOCCOC3=CC=C(C=C3)OCCOCCO1
| PubChem CID | 635862 |
|---|---|
| CAS | 53914-95-7 |
| Molecular Weight (g/mol) | 536.618 |
| MDL Number | MFCD03846057 |
| SMILES | C1COCCOC2=CC=C(C=C2)OCCOCCOCCOCCOC3=CC=C(C=C3)OCCOCCO1 |
| InChI Key | REKDBTBSNFSNGP-UHFFFAOYSA-N |
| Molecular Formula | C28H40O10 |
1,1,2,2-Tetrafluoroethyl 2,2,3,3-Tetrafluoropropyl Ether 95%, TCI America™
CAS: 16627-68-2 Molecular Formula: C5H4F8O Molecular Weight (g/mol): 232.07 MDL Number: MFCD00155961 InChI Key: HCBRSIIGBBDDCD-UHFFFAOYSA-N PubChem CID: 2776662 IUPAC Name: 1,1,2,2-tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane SMILES: FC(F)C(F)(F)COC(F)(F)C(F)F
| PubChem CID | 2776662 |
|---|---|
| CAS | 16627-68-2 |
| Molecular Weight (g/mol) | 232.07 |
| MDL Number | MFCD00155961 |
| SMILES | FC(F)C(F)(F)COC(F)(F)C(F)F |
| IUPAC Name | 1,1,2,2-tetrafluoro-3-(1,1,2,2-tetrafluoroethoxy)propane |
| InChI Key | HCBRSIIGBBDDCD-UHFFFAOYSA-N |
| Molecular Formula | C5H4F8O |
Diethyl Benzylmalonate 98.0+%, TCI America™
CAS: 607-81-8 Molecular Formula: C14H18O4 Molecular Weight (g/mol): 250.294 MDL Number: MFCD00009166 InChI Key: ICZLTZWATFXDLP-UHFFFAOYSA-N Synonym: diethyl benzylmalonate,diethyl 2-benzylmalonate,benzylmalonic acid diethyl ester,propanedioic acid, phenylmethyl-, diethyl ester,unii-40y0x0xn6p,malonic acid, benzyl-, diethyl ester,malonic acid, 2-benzyl-, diethyl ester,diethyl benzyl malonate,1,3-diethyl 2-benzylpropanedioate,diethyl benzylpropanedioate PubChem CID: 69090 IUPAC Name: diethyl 2-benzylpropanedioate SMILES: CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC
| PubChem CID | 69090 |
|---|---|
| CAS | 607-81-8 |
| Molecular Weight (g/mol) | 250.294 |
| MDL Number | MFCD00009166 |
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)C(=O)OCC |
| Synonym | diethyl benzylmalonate,diethyl 2-benzylmalonate,benzylmalonic acid diethyl ester,propanedioic acid, phenylmethyl-, diethyl ester,unii-40y0x0xn6p,malonic acid, benzyl-, diethyl ester,malonic acid, 2-benzyl-, diethyl ester,diethyl benzyl malonate,1,3-diethyl 2-benzylpropanedioate,diethyl benzylpropanedioate |
| IUPAC Name | diethyl 2-benzylpropanedioate |
| InChI Key | ICZLTZWATFXDLP-UHFFFAOYSA-N |
| Molecular Formula | C14H18O4 |
1,4,5,8-Tetrachloroanthraquinone 95.0+%, TCI America™
CAS: 81-58-3 Molecular Formula: C14H4Cl4O2 Molecular Weight (g/mol): 345.98 MDL Number: MFCD00035801 InChI Key: DUJPMUKIEFLXRE-UHFFFAOYSA-N PubChem CID: 66484 IUPAC Name: 1,4,5,8-tetrachloro-9,10-dihydroanthracene-9,10-dione SMILES: ClC1=CC=C(Cl)C2=C1C(=O)C1=C(Cl)C=CC(Cl)=C1C2=O
| PubChem CID | 66484 |
|---|---|
| CAS | 81-58-3 |
| Molecular Weight (g/mol) | 345.98 |
| MDL Number | MFCD00035801 |
| SMILES | ClC1=CC=C(Cl)C2=C1C(=O)C1=C(Cl)C=CC(Cl)=C1C2=O |
| IUPAC Name | 1,4,5,8-tetrachloro-9,10-dihydroanthracene-9,10-dione |
| InChI Key | DUJPMUKIEFLXRE-UHFFFAOYSA-N |
| Molecular Formula | C14H4Cl4O2 |
4-tert-Butylcyclohexanol (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 98-52-2 Molecular Formula: C10H20O Molecular Weight (g/mol): 156.27 MDL Number: MFCD00001473,MFCD00064952,MFCD00070476 InChI Key: CCOQPGVQAWPUPE-UHFFFAOYSA-N Synonym: 4-tert-butylcyclohexanol,cis-4-tert-butylcyclohexanol,trans-4-tert-butylcyclohexanol,4-tert-butyl cyclohexanol,cis-4-tert-butyl cyclohexanol,padaryl,p-tert-butylcyclohexanol,cyclohexanol, 4-1,1-dimethylethyl,cyclohexanol, 4-tert-butyl,4-t-butylcyclohexanol PubChem CID: 7391 IUPAC Name: 4-tert-butylcyclohexan-1-ol SMILES: CC(C)(C)C1CCC(O)CC1
| PubChem CID | 7391 |
|---|---|
| CAS | 98-52-2 |
| Molecular Weight (g/mol) | 156.27 |
| MDL Number | MFCD00001473,MFCD00064952,MFCD00070476 |
| SMILES | CC(C)(C)C1CCC(O)CC1 |
| Synonym | 4-tert-butylcyclohexanol,cis-4-tert-butylcyclohexanol,trans-4-tert-butylcyclohexanol,4-tert-butyl cyclohexanol,cis-4-tert-butyl cyclohexanol,padaryl,p-tert-butylcyclohexanol,cyclohexanol, 4-1,1-dimethylethyl,cyclohexanol, 4-tert-butyl,4-t-butylcyclohexanol |
| IUPAC Name | 4-tert-butylcyclohexan-1-ol |
| InChI Key | CCOQPGVQAWPUPE-UHFFFAOYSA-N |
| Molecular Formula | C10H20O |
2,2,2-Trifluoro-3'-nitroacetophenone 98.0+%, TCI America™
CAS: 657-15-8 Molecular Formula: C8H4F3NO3 Molecular Weight (g/mol): 219.119 MDL Number: MFCD00034541 InChI Key: QADCNGZPRUSTJL-UHFFFAOYSA-N PubChem CID: 69566 IUPAC Name: 2,2,2-trifluoro-1-(3-nitrophenyl)ethanone SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(F)(F)F
| PubChem CID | 69566 |
|---|---|
| CAS | 657-15-8 |
| Molecular Weight (g/mol) | 219.119 |
| MDL Number | MFCD00034541 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C(F)(F)F |
| IUPAC Name | 2,2,2-trifluoro-1-(3-nitrophenyl)ethanone |
| InChI Key | QADCNGZPRUSTJL-UHFFFAOYSA-N |
| Molecular Formula | C8H4F3NO3 |