Organooxygen compounds
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2-Butoxyethanol, 97%, Spectrum™ Chemical
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CAS: 111-76-2
| CAS | 111-76-2 |
|---|
2'-Fluoroacetophenone, 97%
CAS: 445-27-2 Molecular Formula: C8H7FO Molecular Weight (g/mol): 138.141 MDL Number: MFCD00000320 InChI Key: QMATYTFXDIWACW-UHFFFAOYSA-N Synonym: 2'-fluoroacetophenone,1-2-fluorophenyl ethanone,o-fluoroacetophenone,1-2-fluorophenyl ethan-1-one,1-acetyl-2-fluorobenzene,ethanone, 1-fluorophenyl,2-fluoroacetophenone,2'fluoroacetophenone,2;-fluoroacetophenone PubChem CID: 96744 IUPAC Name: 1-(2-fluorophenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1F
| PubChem CID | 96744 |
|---|---|
| CAS | 445-27-2 |
| Molecular Weight (g/mol) | 138.141 |
| MDL Number | MFCD00000320 |
| SMILES | CC(=O)C1=CC=CC=C1F |
| Synonym | 2'-fluoroacetophenone,1-2-fluorophenyl ethanone,o-fluoroacetophenone,1-2-fluorophenyl ethan-1-one,1-acetyl-2-fluorobenzene,ethanone, 1-fluorophenyl,2-fluoroacetophenone,2'fluoroacetophenone,2;-fluoroacetophenone |
| IUPAC Name | 1-(2-fluorophenyl)ethanone |
| InChI Key | QMATYTFXDIWACW-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO |
3-Ethyl-3-hexanol, 98%, Thermo Scientific Chemicals
CAS: 597-76-2 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.23 MDL Number: MFCD00039616 InChI Key: WNDLTOTUHMHNOC-UHFFFAOYSA-N Synonym: 3-ethyl-3-hexanol,3-hexanol, 3-ethyl,1,1-diethyl-1-butanol,diethyl n-propyl carbinol,acmc-1ak6h PubChem CID: 69008 IUPAC Name: 3-ethylhexan-3-ol SMILES: CCCC(O)(CC)CC
| PubChem CID | 69008 |
|---|---|
| CAS | 597-76-2 |
| Molecular Weight (g/mol) | 130.23 |
| MDL Number | MFCD00039616 |
| SMILES | CCCC(O)(CC)CC |
| Synonym | 3-ethyl-3-hexanol,3-hexanol, 3-ethyl,1,1-diethyl-1-butanol,diethyl n-propyl carbinol,acmc-1ak6h |
| IUPAC Name | 3-ethylhexan-3-ol |
| InChI Key | WNDLTOTUHMHNOC-UHFFFAOYSA-N |
| Molecular Formula | C8H18O |
Ethyl (4-bromobenzoyl)acetate, 95%
CAS: 26510-95-2 Molecular Formula: C11H11BrO3 Molecular Weight (g/mol): 271.1 MDL Number: MFCD00231243 InChI Key: PBDYXCKRDRCJDC-UHFFFAOYSA-N Synonym: ethyl 3-4-bromophenyl-3-oxopropanoate,ethyl 4-bromobenzoyl acetate,ethyl 4-bromobenzoylacetate,3-4-bromo-phenyl-3-oxo-propionic acid ethyl ester,3-4-bromophenyl-3-oxo-propionic acid ethyl ester,ethyl 3-4-bromophenyl-3-oxo-propionate,benzenepropanoic acid, 4-bromo-beta-oxo-, ethyl ester,ethyl p-bromobenzoyl acetate,benzenepropanoic acid,4-bromo-b-oxo-, ethyl ester PubChem CID: 2757149 IUPAC Name: ethyl 3-(4-bromophenyl)-3-oxopropanoate SMILES: CCOC(=O)CC(=O)C1=CC=C(C=C1)Br
| PubChem CID | 2757149 |
|---|---|
| CAS | 26510-95-2 |
| Molecular Weight (g/mol) | 271.1 |
| MDL Number | MFCD00231243 |
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)Br |
| Synonym | ethyl 3-4-bromophenyl-3-oxopropanoate,ethyl 4-bromobenzoyl acetate,ethyl 4-bromobenzoylacetate,3-4-bromo-phenyl-3-oxo-propionic acid ethyl ester,3-4-bromophenyl-3-oxo-propionic acid ethyl ester,ethyl 3-4-bromophenyl-3-oxo-propionate,benzenepropanoic acid, 4-bromo-beta-oxo-, ethyl ester,ethyl p-bromobenzoyl acetate,benzenepropanoic acid,4-bromo-b-oxo-, ethyl ester |
| IUPAC Name | ethyl 3-(4-bromophenyl)-3-oxopropanoate |
| InChI Key | PBDYXCKRDRCJDC-UHFFFAOYSA-N |
| Molecular Formula | C11H11BrO3 |
Tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionato)zirconium(IV), 99.9%, Thermo Scientific™
CAS: 18865-74-2 Molecular Formula: C44H80O8Zr Molecular Weight (g/mol): 828.34 MDL Number: MFCD00145380,MFCD00145380 InChI Key: ANBXKEDJQLYCLX-UHFFFAOYSA-N Synonym: tetrakis 2,2,6,6-tetramethyl-3,5-heptanedionato zirconium,zirconium 2,2,6,6-tetramethyl-3,5-heptanedionate,tetrakis 2,2,6,6-tetramethyl-3,5-heptanedionato zirconium iv,zr tmhd 4,zirconium tetrakis 2,2,6,6-tetramethyl-3,5-heptanedionate,zirconium tetrakis dipivaloylmethanate,zirconium iv 2,2,6,6-tetramethyl-3,5-heptanedionate,4z-2,2,6,6-tetramethyl-5-tris 3z-2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl oxy zirconio oxy hept-4-en-3-one PubChem CID: 50919870 IUPAC Name: 5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;zirconium SMILES: [Zr].CC(C)(C)C(O)=CC(=O)C(C)(C)C.CC(C)(C)C(O)=CC(=O)C(C)(C)C.CC(C)(C)C(O)=CC(=O)C(C)(C)C.CC(C)(C)C(O)=CC(=O)C(C)(C)C
| PubChem CID | 50919870 |
|---|---|
| CAS | 18865-74-2 |
| Molecular Weight (g/mol) | 828.34 |
| MDL Number | MFCD00145380,MFCD00145380 |
| SMILES | [Zr].CC(C)(C)C(O)=CC(=O)C(C)(C)C.CC(C)(C)C(O)=CC(=O)C(C)(C)C.CC(C)(C)C(O)=CC(=O)C(C)(C)C.CC(C)(C)C(O)=CC(=O)C(C)(C)C |
| Synonym | tetrakis 2,2,6,6-tetramethyl-3,5-heptanedionato zirconium,zirconium 2,2,6,6-tetramethyl-3,5-heptanedionate,tetrakis 2,2,6,6-tetramethyl-3,5-heptanedionato zirconium iv,zr tmhd 4,zirconium tetrakis 2,2,6,6-tetramethyl-3,5-heptanedionate,zirconium tetrakis dipivaloylmethanate,zirconium iv 2,2,6,6-tetramethyl-3,5-heptanedionate,4z-2,2,6,6-tetramethyl-5-tris 3z-2,2,6,6-tetramethyl-5-oxohept-3-en-3-yl oxy zirconio oxy hept-4-en-3-one |
| IUPAC Name | 5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;zirconium |
| InChI Key | ANBXKEDJQLYCLX-UHFFFAOYSA-N |
| Molecular Formula | C44H80O8Zr |
1,4-Cyclohexanediol, cis + trans, 98%
CAS: 556-48-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00001448,MFCD00063612,MFCD00075462 InChI Key: VKONPUDBRVKQLM-UHFFFAOYSA-N Synonym: 1,4-cyclohexanediol,cis-1,4-cyclohexanediol,trans-1,4-cyclohexanediol,trans-cyclohexane-1,4-diol,quinitol,1,4-cyclohexanediol, trans,cis-cyclohexane-1,4-diol,1,4-cyclohexanediol, cis,trans-1,4-dihydroxycyclohexane,cis-1,4-dihydroxycyclohexane PubChem CID: 11162 IUPAC Name: cyclohexane-1,4-diol SMILES: OC1CCC(O)CC1
| PubChem CID | 11162 |
|---|---|
| CAS | 556-48-9 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00001448,MFCD00063612,MFCD00075462 |
| SMILES | OC1CCC(O)CC1 |
| Synonym | 1,4-cyclohexanediol,cis-1,4-cyclohexanediol,trans-1,4-cyclohexanediol,trans-cyclohexane-1,4-diol,quinitol,1,4-cyclohexanediol, trans,cis-cyclohexane-1,4-diol,1,4-cyclohexanediol, cis,trans-1,4-dihydroxycyclohexane,cis-1,4-dihydroxycyclohexane |
| IUPAC Name | cyclohexane-1,4-diol |
| InChI Key | VKONPUDBRVKQLM-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
2-Phenylethanol, >99%, MP Biomedicals™
CAS: 60-12-8 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00002886 InChI Key: WRMNZCZEMHIOCP-UHFFFAOYSA-N Synonym: phenethyl alcohol,benzeneethanol,phenylethyl alcohol,benzyl carbinol,phenylethanol,phenethanol,2-phenylethyl alcohol,2-phenyl-ethanol,beta-phenylethanol,2-phenylethan-1-ol PubChem CID: 6054 ChEBI: CHEBI:49000 IUPAC Name: 2-phenylethan-1-ol SMILES: OCCC1=CC=CC=C1
| PubChem CID | 6054 |
|---|---|
| CAS | 60-12-8 |
| Molecular Weight (g/mol) | 122.17 |
| ChEBI | CHEBI:49000 |
| MDL Number | MFCD00002886 |
| SMILES | OCCC1=CC=CC=C1 |
| Synonym | phenethyl alcohol,benzeneethanol,phenylethyl alcohol,benzyl carbinol,phenylethanol,phenethanol,2-phenylethyl alcohol,2-phenyl-ethanol,beta-phenylethanol,2-phenylethan-1-ol |
| IUPAC Name | 2-phenylethan-1-ol |
| InChI Key | WRMNZCZEMHIOCP-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
Diethyl isobutylmalonate, 98%
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 |
6-Methoxypyridine-2-carboxaldehyde, 96%
CAS: 54221-96-4 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD05664030 InChI Key: YDNWTNODZDSPNZ-UHFFFAOYSA-N Synonym: 6-methoxypicolinaldehyde,6-methoxy-2-pyridinecarboxaldehyde,2-methoxy-6-pyridinecarboxaldehyde,2-formyl-6-methoxypyridine,6-methoxy-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-methoxy,6-methoxypyridine-2-carboxaldehyde,pubchem15345,acmc-1aulb,ksc490s1l PubChem CID: 12325392 IUPAC Name: 6-methoxypyridine-2-carbaldehyde SMILES: COC1=CC=CC(=N1)C=O
| PubChem CID | 12325392 |
|---|---|
| CAS | 54221-96-4 |
| Molecular Weight (g/mol) | 137.138 |
| MDL Number | MFCD05664030 |
| SMILES | COC1=CC=CC(=N1)C=O |
| Synonym | 6-methoxypicolinaldehyde,6-methoxy-2-pyridinecarboxaldehyde,2-methoxy-6-pyridinecarboxaldehyde,2-formyl-6-methoxypyridine,6-methoxy-pyridine-2-carbaldehyde,2-pyridinecarboxaldehyde, 6-methoxy,6-methoxypyridine-2-carboxaldehyde,pubchem15345,acmc-1aulb,ksc490s1l |
| IUPAC Name | 6-methoxypyridine-2-carbaldehyde |
| InChI Key | YDNWTNODZDSPNZ-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
2-Methoxyethanol, 99+%, Extra Dry, AcroSeal™
CAS: 109-86-4 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.09 MDL Number: MFCD00002867 InChI Key: XNWFRZJHXBZDAG-UHFFFAOYSA-N Synonym: methyl cellosolve,ethanol, 2-methoxy,ethylene glycol monomethyl ether,methyl oxitol,2-methoxy-1-ethanol,methoxyethanol,3-oxa-1-butanol,egme,monomethyl glycol,dowanol em PubChem CID: 8019 ChEBI: CHEBI:46790 IUPAC Name: 2-methoxyethanol SMILES: COCCO
| PubChem CID | 8019 |
|---|---|
| CAS | 109-86-4 |
| Molecular Weight (g/mol) | 76.09 |
| ChEBI | CHEBI:46790 |
| MDL Number | MFCD00002867 |
| SMILES | COCCO |
| Synonym | methyl cellosolve,ethanol, 2-methoxy,ethylene glycol monomethyl ether,methyl oxitol,2-methoxy-1-ethanol,methoxyethanol,3-oxa-1-butanol,egme,monomethyl glycol,dowanol em |
| IUPAC Name | 2-methoxyethanol |
| InChI Key | XNWFRZJHXBZDAG-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |
7-Methoxy-1-indanone, 95%
CAS: 34985-41-6 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD06659666 InChI Key: CZXBVBATQPHSSL-UHFFFAOYSA-N PubChem CID: 288143 IUPAC Name: 7-methoxy-2,3-dihydroinden-1-one SMILES: COC1=CC=CC2=C1C(=O)CC2
| PubChem CID | 288143 |
|---|---|
| CAS | 34985-41-6 |
| Molecular Weight (g/mol) | 162.188 |
| MDL Number | MFCD06659666 |
| SMILES | COC1=CC=CC2=C1C(=O)CC2 |
| IUPAC Name | 7-methoxy-2,3-dihydroinden-1-one |
| InChI Key | CZXBVBATQPHSSL-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
Boron trifluoride etherate, approx. 48% BF3
CAS: 109-63-7 Molecular Formula: C4H10BF3O Molecular Weight (g/mol): 141.93 MDL Number: MFCD00013194 InChI Key: KZMGYPLQYOPHEL-UHFFFAOYSA-N Synonym: Boron trifluoride ethyl ether PubChem CID: 8000 IUPAC Name: ethoxyethane;trifluoroborane SMILES: FB(F)F.CCOCC
| PubChem CID | 8000 |
|---|---|
| CAS | 109-63-7 |
| Molecular Weight (g/mol) | 141.93 |
| MDL Number | MFCD00013194 |
| SMILES | FB(F)F.CCOCC |
| Synonym | Boron trifluoride ethyl ether |
| IUPAC Name | ethoxyethane;trifluoroborane |
| InChI Key | KZMGYPLQYOPHEL-UHFFFAOYSA-N |
| Molecular Formula | C4H10BF3O |
2,3-Dihydrothieno[3,4-b][1,4]dioxine-5-carbaldehyde, ≥97%, Thermo Scientific™
CAS: 204905-77-1 Molecular Formula: C7H6O3S Molecular Weight (g/mol): 170.182 MDL Number: MFCD01651766 InChI Key: GNVXYRDVJKJZTO-UHFFFAOYSA-N Synonym: 2,3-dihydrothieno 3,4-b 1,4 dioxine-5-carbaldehyde,2h,3h-thieno 3,4-b 1,4 dioxine-5-carbaldehyde,3,4-ethylenedioxythiophene-2-carbaldehyde,3,4-ethylenedioxythiophene-2-carboxaldehyde,2-formyl-3,4-ethylene dioxythiophene,2h,3h-thiopheno 3,4-e 1,4-dioxane-5-carbaldehyde,2,3-dihydrothieno 3,4-b-1,4-dioxin-5-carbaldehyde,2,3-dihydrothieno 3,4-b 1,4 dioxine-5-carboxaldehyde,thieno 3,4-b-1,4-dioxin-5-carboxaldehyde, 2,3-dihydro PubChem CID: 3540090 IUPAC Name: 2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbaldehyde SMILES: C1COC2=C(SC=C2O1)C=O
| PubChem CID | 3540090 |
|---|---|
| CAS | 204905-77-1 |
| Molecular Weight (g/mol) | 170.182 |
| MDL Number | MFCD01651766 |
| SMILES | C1COC2=C(SC=C2O1)C=O |
| Synonym | 2,3-dihydrothieno 3,4-b 1,4 dioxine-5-carbaldehyde,2h,3h-thieno 3,4-b 1,4 dioxine-5-carbaldehyde,3,4-ethylenedioxythiophene-2-carbaldehyde,3,4-ethylenedioxythiophene-2-carboxaldehyde,2-formyl-3,4-ethylene dioxythiophene,2h,3h-thiopheno 3,4-e 1,4-dioxane-5-carbaldehyde,2,3-dihydrothieno 3,4-b-1,4-dioxin-5-carbaldehyde,2,3-dihydrothieno 3,4-b 1,4 dioxine-5-carboxaldehyde,thieno 3,4-b-1,4-dioxin-5-carboxaldehyde, 2,3-dihydro |
| IUPAC Name | 2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbaldehyde |
| InChI Key | GNVXYRDVJKJZTO-UHFFFAOYSA-N |
| Molecular Formula | C7H6O3S |
2,3-Dihydrobenzo[b]furan-7-carboxylic acid, 97%, Thermo Scientific™
CAS: 35700-40-4 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00671526 InChI Key: UHXBMSNEECJPSX-UHFFFAOYSA-N Synonym: 2,3-dihydrobenzofuran-7-carboxylic acid,2,3-dihydrobenzo b furan-7-carboxylic acid,7-coumarancarboxylic acid,2,3-dihydro-7-benzofurancarboxylic acid,7-benzofurancarboxylicacid, 2,3-dihydro,7-benzofurancarboxylic acid, 2,3-dihydro,pubchem16734,acmc-209iiq,dihydrobenzofurancarboxylicacid,7-dihydrobenzofuran carboxylic acid PubChem CID: 2795014 IUPAC Name: 2,3-dihydro-1-benzofuran-7-carboxylic acid SMILES: C1COC2=C(C=CC=C21)C(=O)O
| PubChem CID | 2795014 |
|---|---|
| CAS | 35700-40-4 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00671526 |
| SMILES | C1COC2=C(C=CC=C21)C(=O)O |
| Synonym | 2,3-dihydrobenzofuran-7-carboxylic acid,2,3-dihydrobenzo b furan-7-carboxylic acid,7-coumarancarboxylic acid,2,3-dihydro-7-benzofurancarboxylic acid,7-benzofurancarboxylicacid, 2,3-dihydro,7-benzofurancarboxylic acid, 2,3-dihydro,pubchem16734,acmc-209iiq,dihydrobenzofurancarboxylicacid,7-dihydrobenzofuran carboxylic acid |
| IUPAC Name | 2,3-dihydro-1-benzofuran-7-carboxylic acid |
| InChI Key | UHXBMSNEECJPSX-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
| CAS | 5392-12-1 |
|---|---|
| MDL Number | MFCD00004004 |