Organooxygen compounds
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2'-(Trifluoromethoxy)acetophenone 98.0+%, TCI America™
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CAS: 220227-93-0 Molecular Formula: C9H7F3O2 Molecular Weight (g/mol): 204.148 MDL Number: MFCD00236320 InChI Key: XTXSTESGCXKUIH-UHFFFAOYSA-N Synonym: 2'-trifluoromethoxy acetophenone,1-2-trifluoromethoxy phenyl ethanone,1-2-trifluoromethoxy phenyl ethan-1-one,1-acetyl-2-trifluoromethoxy benzene,pubchem4295,2-trifluoromethoxy acetophenone98,1-2-trifluoromethoxyphenyl ethanone,2'-trifluoromethoxy acetophenone98 PubChem CID: 2777176 IUPAC Name: 1-[2-(trifluoromethoxy)phenyl]ethanone SMILES: CC(=O)C1=CC=CC=C1OC(F)(F)F
| PubChem CID | 2777176 |
|---|---|
| CAS | 220227-93-0 |
| Molecular Weight (g/mol) | 204.148 |
| MDL Number | MFCD00236320 |
| SMILES | CC(=O)C1=CC=CC=C1OC(F)(F)F |
| Synonym | 2'-trifluoromethoxy acetophenone,1-2-trifluoromethoxy phenyl ethanone,1-2-trifluoromethoxy phenyl ethan-1-one,1-acetyl-2-trifluoromethoxy benzene,pubchem4295,2-trifluoromethoxy acetophenone98,1-2-trifluoromethoxyphenyl ethanone,2'-trifluoromethoxy acetophenone98 |
| IUPAC Name | 1-[2-(trifluoromethoxy)phenyl]ethanone |
| InChI Key | XTXSTESGCXKUIH-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3O2 |
1,4-Cyclohexanediol (cis- and trans- mixture) 99.0+%, TCI America™
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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 |
Imperatorin 98.0+%, TCI America™
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CAS: 482-44-0 Molecular Formula: C16H14O4 Molecular Weight (g/mol): 270.284 MDL Number: MFCD00016881 InChI Key: OLOOJGVNMBJLLR-UHFFFAOYSA-N Synonym: 8-(3-Methyl-2-butenyloxy)psoralen, 8-Prenyloxypsoralen, Marmelosin, 9-[(3-Methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one PubChem CID: 10212 ChEBI: CHEBI:5885 IUPAC Name: 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one SMILES: CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C
| PubChem CID | 10212 |
|---|---|
| CAS | 482-44-0 |
| Molecular Weight (g/mol) | 270.284 |
| ChEBI | CHEBI:5885 |
| MDL Number | MFCD00016881 |
| SMILES | CC(=CCOC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2)C |
| Synonym | 8-(3-Methyl-2-butenyloxy)psoralen, 8-Prenyloxypsoralen, Marmelosin, 9-[(3-Methyl-2-buten-1-yl)oxy]-7H-furo[3,2-g]chromen-7-one |
| IUPAC Name | 9-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one |
| InChI Key | OLOOJGVNMBJLLR-UHFFFAOYSA-N |
| Molecular Formula | C16H14O4 |
Dibenzo-24-crown 8-Ether 98.0+%, TCI America™
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CAS: 14174-09-5 Molecular Formula: C24H32O8 Molecular Weight (g/mol): 448.51 MDL Number: MFCD00005101 InChI Key: UNTITLLXXOKDTB-UHFFFAOYSA-N PubChem CID: 84238 IUPAC Name: 2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.0¹²,¹⁷]dotriaconta-1(32),12,14,16,28,30-hexaene SMILES: C1COCCOC2=CC=CC=C2OCCOCCOCCOC2=CC=CC=C2OCCO1
| PubChem CID | 84238 |
|---|---|
| CAS | 14174-09-5 |
| Molecular Weight (g/mol) | 448.51 |
| MDL Number | MFCD00005101 |
| SMILES | C1COCCOC2=CC=CC=C2OCCOCCOCCOC2=CC=CC=C2OCCO1 |
| IUPAC Name | 2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.0¹²,¹⁷]dotriaconta-1(32),12,14,16,28,30-hexaene |
| InChI Key | UNTITLLXXOKDTB-UHFFFAOYSA-N |
| Molecular Formula | C24H32O8 |
2,6-Diacetylpyridine 98.0+%, TCI America™
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CAS: 1129-30-2 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00006304 InChI Key: BEZVGIHGZPLGBL-UHFFFAOYSA-N Synonym: 2,6-diacetylpyridine,1,1'-pyridine-2,6-diyl diethanone,1-6-acetylpyridin-2-yl ethanone,pyridine-2,6-diacetyl,2,6-diacetyl pyridine,1-6-acetyl-pyridin-2-yl-ethanone,ethanone, 1,1'-2,6-pyridinediyl bis,1-6-acetylpyridin-2-yl ethan-1-one,2,6diacetylpyridine,pubchem3144 PubChem CID: 70790 IUPAC Name: 1-(6-acetylpyridin-2-yl)ethan-1-one SMILES: CC(=O)C1=CC=CC(=N1)C(C)=O
| PubChem CID | 70790 |
|---|---|
| CAS | 1129-30-2 |
| Molecular Weight (g/mol) | 163.18 |
| MDL Number | MFCD00006304 |
| SMILES | CC(=O)C1=CC=CC(=N1)C(C)=O |
| Synonym | 2,6-diacetylpyridine,1,1'-pyridine-2,6-diyl diethanone,1-6-acetylpyridin-2-yl ethanone,pyridine-2,6-diacetyl,2,6-diacetyl pyridine,1-6-acetyl-pyridin-2-yl-ethanone,ethanone, 1,1'-2,6-pyridinediyl bis,1-6-acetylpyridin-2-yl ethan-1-one,2,6diacetylpyridine,pubchem3144 |
| IUPAC Name | 1-(6-acetylpyridin-2-yl)ethan-1-one |
| InChI Key | BEZVGIHGZPLGBL-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2 |
3,5-Dibenzyloxybenzaldehyde 98.0+%, TCI America™
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CAS: 14615-72-6 Molecular Formula: C21H18O3 Molecular Weight (g/mol): 318.372 InChI Key: CHUAMRVJSRBRHT-UHFFFAOYSA-N Synonym: 3,5-Bis(benzyloxy)benzaldehyde PubChem CID: 561351 IUPAC Name: 3,5-bis(phenylmethoxy)benzaldehyde SMILES: C1=CC=C(C=C1)COC2=CC(=CC(=C2)C=O)OCC3=CC=CC=C3
| PubChem CID | 561351 |
|---|---|
| CAS | 14615-72-6 |
| Molecular Weight (g/mol) | 318.372 |
| SMILES | C1=CC=C(C=C1)COC2=CC(=CC(=C2)C=O)OCC3=CC=CC=C3 |
| Synonym | 3,5-Bis(benzyloxy)benzaldehyde |
| IUPAC Name | 3,5-bis(phenylmethoxy)benzaldehyde |
| InChI Key | CHUAMRVJSRBRHT-UHFFFAOYSA-N |
| Molecular Formula | C21H18O3 |
2-Butyn-1-ol 98.0+%, TCI America™
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CAS: 764-01-2 Molecular Formula: C4H6O Molecular Weight (g/mol): 70.091 MDL Number: MFCD00002914 InChI Key: NEEDEQSZOUAJMU-UHFFFAOYSA-N Synonym: 2-butyn-1-ol,2-butynol,2-butyne-1-ol,hydroxymethylmethylacetylene,2-butynyl alcohol,1-hydroxybut-2-yne,2-butyn-l-ol,2-butyn1-ol,2-butin-1-ol,but-2-in-1-ol PubChem CID: 12991 IUPAC Name: but-2-yn-1-ol SMILES: CC#CCO
| PubChem CID | 12991 |
|---|---|
| CAS | 764-01-2 |
| Molecular Weight (g/mol) | 70.091 |
| MDL Number | MFCD00002914 |
| SMILES | CC#CCO |
| Synonym | 2-butyn-1-ol,2-butynol,2-butyne-1-ol,hydroxymethylmethylacetylene,2-butynyl alcohol,1-hydroxybut-2-yne,2-butyn-l-ol,2-butyn1-ol,2-butin-1-ol,but-2-in-1-ol |
| IUPAC Name | but-2-yn-1-ol |
| InChI Key | NEEDEQSZOUAJMU-UHFFFAOYSA-N |
| Molecular Formula | C4H6O |
4,4,4-Trifluoro-1-butanol 98.0+%, TCI America™
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CAS: 461-18-7 Molecular Formula: C4H7F3O Molecular Weight (g/mol): 128.094 MDL Number: MFCD00041483 InChI Key: VKRFUGHXKNNIJO-UHFFFAOYSA-N Synonym: 4,4,4-trifluoro-1-butanol,4,4,4-trifluorobutanol,4,4,4-trifluorobutanol-1,4,4,4-trifluoro-butan-1-ol,1-butanol, 4,4,4-trifluoro,pubchem15240,dl-bicarnesine hydrochloride,ksc237k9h,4,4,4-trifluoro-1-butanol #,4,4,4-tris fluoranyl butan-1-ol PubChem CID: 136307 IUPAC Name: 4,4,4-trifluorobutan-1-ol SMILES: C(CC(F)(F)F)CO
| PubChem CID | 136307 |
|---|---|
| CAS | 461-18-7 |
| Molecular Weight (g/mol) | 128.094 |
| MDL Number | MFCD00041483 |
| SMILES | C(CC(F)(F)F)CO |
| Synonym | 4,4,4-trifluoro-1-butanol,4,4,4-trifluorobutanol,4,4,4-trifluorobutanol-1,4,4,4-trifluoro-butan-1-ol,1-butanol, 4,4,4-trifluoro,pubchem15240,dl-bicarnesine hydrochloride,ksc237k9h,4,4,4-trifluoro-1-butanol #,4,4,4-tris fluoranyl butan-1-ol |
| IUPAC Name | 4,4,4-trifluorobutan-1-ol |
| InChI Key | VKRFUGHXKNNIJO-UHFFFAOYSA-N |
| Molecular Formula | C4H7F3O |
3,4-Dichlorophenacyl Bromide 98.0+%, TCI America™
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CAS: 2632-10-2 Molecular Formula: C8H5BrCl2O Molecular Weight (g/mol): 267.93 InChI Key: PAKFHEFMTRCFAU-UHFFFAOYSA-N Synonym: 2-bromo-1-3,4-dichlorophenyl ethanone,3,4-dichlorophenacyl bromide,2-bromo-3',4'-dichloroacetophenone,2-bromo-1-3,4-dichlorophenyl ethan-1-one,3,4-dichlorophenacylbromide,ethanone, 2-bromo-1-3,4-dichlorophenyl,1-3,4-dichlorophenyl-2-bromoethan-1-one,pubchem3262,acmc-1coei,3.4-dichlorophenacylbromide PubChem CID: 244751 IUPAC Name: 2-bromo-1-(3,4-dichlorophenyl)ethanone SMILES: C1=CC(=C(C=C1C(=O)CBr)Cl)Cl
| PubChem CID | 244751 |
|---|---|
| CAS | 2632-10-2 |
| Molecular Weight (g/mol) | 267.93 |
| SMILES | C1=CC(=C(C=C1C(=O)CBr)Cl)Cl |
| Synonym | 2-bromo-1-3,4-dichlorophenyl ethanone,3,4-dichlorophenacyl bromide,2-bromo-3',4'-dichloroacetophenone,2-bromo-1-3,4-dichlorophenyl ethan-1-one,3,4-dichlorophenacylbromide,ethanone, 2-bromo-1-3,4-dichlorophenyl,1-3,4-dichlorophenyl-2-bromoethan-1-one,pubchem3262,acmc-1coei,3.4-dichlorophenacylbromide |
| IUPAC Name | 2-bromo-1-(3,4-dichlorophenyl)ethanone |
| InChI Key | PAKFHEFMTRCFAU-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrCl2O |
3-Methyl-1,5-pentanediol 97.0+%, TCI America™
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CAS: 4457-71-0 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.176 MDL Number: MFCD00039547 InChI Key: SXFJDZNJHVPHPH-UHFFFAOYSA-N PubChem CID: 20524 IUPAC Name: 3-methylpentane-1,5-diol SMILES: CC(CCO)CCO
| PubChem CID | 20524 |
|---|---|
| CAS | 4457-71-0 |
| Molecular Weight (g/mol) | 118.176 |
| MDL Number | MFCD00039547 |
| SMILES | CC(CCO)CCO |
| IUPAC Name | 3-methylpentane-1,5-diol |
| InChI Key | SXFJDZNJHVPHPH-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |
1-Methyl-2-pyrrolecarboxaldehyde 97.0+%, TCI America™
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CAS: 1192-58-1 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.128 MDL Number: MFCD00003087 InChI Key: OUKQTRFCDKSEPL-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrrole-2-carbaldehyde,1-methylpyrrole-2-carboxaldehyde,n-methylpyrrole-2-carboxaldehyde,n-methyl-2-pyrrolecarboxaldehyde,1-methyl-1h-pyrrole-2-carboxaldehyde,2-formyl-1-methylpyrrole,1-methyl-2-pyrrolecarboxaldehyde,1h-pyrrole-2-carboxaldehyde, 1-methyl,unii-m0hyh3d7sx,1-methyl-2-formylpyrrole PubChem CID: 14504 IUPAC Name: 1-methylpyrrole-2-carbaldehyde SMILES: CN1C=CC=C1C=O
| PubChem CID | 14504 |
|---|---|
| CAS | 1192-58-1 |
| Molecular Weight (g/mol) | 109.128 |
| MDL Number | MFCD00003087 |
| SMILES | CN1C=CC=C1C=O |
| Synonym | 1-methyl-1h-pyrrole-2-carbaldehyde,1-methylpyrrole-2-carboxaldehyde,n-methylpyrrole-2-carboxaldehyde,n-methyl-2-pyrrolecarboxaldehyde,1-methyl-1h-pyrrole-2-carboxaldehyde,2-formyl-1-methylpyrrole,1-methyl-2-pyrrolecarboxaldehyde,1h-pyrrole-2-carboxaldehyde, 1-methyl,unii-m0hyh3d7sx,1-methyl-2-formylpyrrole |
| IUPAC Name | 1-methylpyrrole-2-carbaldehyde |
| InChI Key | OUKQTRFCDKSEPL-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
Trifluoroacetylacetone 98.0+%, TCI America™
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CAS: 367-57-7 Molecular Formula: C5H5F3O2 Molecular Weight (g/mol): 154.09 MDL Number: MFCD00000427 InChI Key: SHXHPUAKLCCLDV-UHFFFAOYSA-N Synonym: 1,1,1-trifluoro-2,4-pentanedione,trifluoroacetylacetone,1,1,1-trifluoroacetylacetone,trifluoroacetyl acetone,acetyl trifluoroacetone,2,4-pentanedione, 1,1,1-trifluoro,tfpd-h,unii-9n20a8g8sw,alpha,alpha,alpha-trifluoroacetylacetone,a,a,a-trifluoroacetylacetone PubChem CID: 73943 IUPAC Name: 1,1,1-trifluoropentane-2,4-dione SMILES: CC(=O)CC(=O)C(F)(F)F
| PubChem CID | 73943 |
|---|---|
| CAS | 367-57-7 |
| Molecular Weight (g/mol) | 154.09 |
| MDL Number | MFCD00000427 |
| SMILES | CC(=O)CC(=O)C(F)(F)F |
| Synonym | 1,1,1-trifluoro-2,4-pentanedione,trifluoroacetylacetone,1,1,1-trifluoroacetylacetone,trifluoroacetyl acetone,acetyl trifluoroacetone,2,4-pentanedione, 1,1,1-trifluoro,tfpd-h,unii-9n20a8g8sw,alpha,alpha,alpha-trifluoroacetylacetone,a,a,a-trifluoroacetylacetone |
| IUPAC Name | 1,1,1-trifluoropentane-2,4-dione |
| InChI Key | SHXHPUAKLCCLDV-UHFFFAOYSA-N |
| Molecular Formula | C5H5F3O2 |
Tetradecanophenone 98.0+%, TCI America™
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CAS: 4497-05-6 Molecular Formula: C20H32O Molecular Weight (g/mol): 288.48 MDL Number: MFCD00008985 InChI Key: LXUIUVLDNRQBQJ-UHFFFAOYSA-N Synonym: Myristophenone, Phenyl Tridecyl Ketone PubChem CID: 78248 IUPAC Name: 1-phenyltetradecan-1-one SMILES: CCCCCCCCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 78248 |
|---|---|
| CAS | 4497-05-6 |
| Molecular Weight (g/mol) | 288.48 |
| MDL Number | MFCD00008985 |
| SMILES | CCCCCCCCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | Myristophenone, Phenyl Tridecyl Ketone |
| IUPAC Name | 1-phenyltetradecan-1-one |
| InChI Key | LXUIUVLDNRQBQJ-UHFFFAOYSA-N |
| Molecular Formula | C20H32O |
tert-Butyl 12-Hydroxy-4,7,10-trioxadodecanoate 97.0+%, TCI America™
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CAS: 186020-66-6 Molecular Formula: C13H26O6 Molecular Weight (g/mol): 278.345 MDL Number: MFCD03791106 InChI Key: KSXVEOLRERRELV-UHFFFAOYSA-N Synonym: 12-Hydroxy-4,7,10-trioxadodecanoic Acid tert-Butyl Ester, tert-Butyl 3-[2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy]propionate, 3-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]propionic Acid tert-Butyl Ester PubChem CID: 3625858 IUPAC Name: tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate SMILES: CC(C)(C)OC(=O)CCOCCOCCOCCO
| PubChem CID | 3625858 |
|---|---|
| CAS | 186020-66-6 |
| Molecular Weight (g/mol) | 278.345 |
| MDL Number | MFCD03791106 |
| SMILES | CC(C)(C)OC(=O)CCOCCOCCOCCO |
| Synonym | 12-Hydroxy-4,7,10-trioxadodecanoic Acid tert-Butyl Ester, tert-Butyl 3-[2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy]propionate, 3-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]propionic Acid tert-Butyl Ester |
| IUPAC Name | tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate |
| InChI Key | KSXVEOLRERRELV-UHFFFAOYSA-N |
| Molecular Formula | C13H26O6 |
2,6-Dimethoxypyridine-3-boronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 2762707 |
|---|---|
| CAS | 221006-70-8 |
| Molecular Weight (g/mol) | 182.97 |
| MDL Number | MFCD03788239 |
| Color | White |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=C(N=C(C=C1)OC)OC)(O)O |
| TSCA | No |
| IUPAC Name | (2,6-dimethoxypyridin-3-yl)boronic acid |
| InChI Key | ADGHSWFUZUADDH-UHFFFAOYSA-N |
| Molecular Formula | C7H10BNO4 |
| Formula Weight | 182.97 |
| Melting Point | 109°C |