Organooxygen compounds
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1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanone 98.0+%, TCI America™
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CAS: 756-13-8 Molecular Formula: C6F12O Molecular Weight (g/mol): 316.05 MDL Number: MFCD04038343 InChI Key: RMLFHPWPTXWZNJ-UHFFFAOYSA-N Synonym: Perfluoroethyl Perfluoroisopropyl Ketone PubChem CID: 2782408 IUPAC Name: 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one SMILES: FC(F)(F)C(F)(F)C(=O)C(F)(C(F)(F)F)C(F)(F)F
| PubChem CID | 2782408 |
|---|---|
| CAS | 756-13-8 |
| Molecular Weight (g/mol) | 316.05 |
| MDL Number | MFCD04038343 |
| SMILES | FC(F)(F)C(F)(F)C(=O)C(F)(C(F)(F)F)C(F)(F)F |
| Synonym | Perfluoroethyl Perfluoroisopropyl Ketone |
| IUPAC Name | 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one |
| InChI Key | RMLFHPWPTXWZNJ-UHFFFAOYSA-N |
| Molecular Formula | C6F12O |
2-Acetyl-5-methylthiophene 96.0+%, TCI America™
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CAS: 13679-74-8 Molecular Formula: C7H8OS Molecular Weight (g/mol): 140.20 MDL Number: MFCD00014529 InChI Key: YOSDTJYMDAEEAZ-UHFFFAOYSA-N Synonym: 2-acetyl-5-methylthiophene,1-5-methylthiophen-2-yl ethanone,ketone, methyl 5-methyl-2-thienyl,1-5-methyl-2-thienyl ethan-1-one,2-methyl-5-acetylthiophene,ethanone, 1-5-methyl-2-thienyl,methylthienylcetone,1-5-methyl-2-thienyl ethanone,5-methyl-2-acetylthiophene,methyl 5-methyl-2-thienyl ketone PubChem CID: 83655 IUPAC Name: 1-(5-methylthiophen-2-yl)ethan-1-one SMILES: CC(=O)C1=CC=C(C)S1
| PubChem CID | 83655 |
|---|---|
| CAS | 13679-74-8 |
| Molecular Weight (g/mol) | 140.20 |
| MDL Number | MFCD00014529 |
| SMILES | CC(=O)C1=CC=C(C)S1 |
| Synonym | 2-acetyl-5-methylthiophene,1-5-methylthiophen-2-yl ethanone,ketone, methyl 5-methyl-2-thienyl,1-5-methyl-2-thienyl ethan-1-one,2-methyl-5-acetylthiophene,ethanone, 1-5-methyl-2-thienyl,methylthienylcetone,1-5-methyl-2-thienyl ethanone,5-methyl-2-acetylthiophene,methyl 5-methyl-2-thienyl ketone |
| IUPAC Name | 1-(5-methylthiophen-2-yl)ethan-1-one |
| InChI Key | YOSDTJYMDAEEAZ-UHFFFAOYSA-N |
| Molecular Formula | C7H8OS |
trans-2-Butene-1,4-diol 95.0+%, TCI America™
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CAS: 821-11-4 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 MDL Number: MFCD00063207 InChI Key: ORTVZLZNOYNASJ-OWOJBTEDSA-N Synonym: trans-1,4-Dihydroxy-2-butene PubChem CID: 175854 IUPAC Name: (E)-but-2-ene-1,4-diol SMILES: C(C=CCO)O
| PubChem CID | 175854 |
|---|---|
| CAS | 821-11-4 |
| Molecular Weight (g/mol) | 88.106 |
| MDL Number | MFCD00063207 |
| SMILES | C(C=CCO)O |
| Synonym | trans-1,4-Dihydroxy-2-butene |
| IUPAC Name | (E)-but-2-ene-1,4-diol |
| InChI Key | ORTVZLZNOYNASJ-OWOJBTEDSA-N |
| Molecular Formula | C4H8O2 |
2,5-Dibromo-3,4-ethylenedioxythiophene 98.0+%, TCI America™
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CAS: 174508-31-7 Molecular Formula: C6H4Br2O2S Molecular Weight (g/mol): 299.96 MDL Number: MFCD01651770 InChI Key: FHMRWRBNAIDRAP-UHFFFAOYSA-N Synonym: 5,7-Dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxine PubChem CID: 3834570 IUPAC Name: 5,7-dibromo-2H,3H-thieno[3,4-b][1,4]dioxine SMILES: BrC1=C2OCCOC2=C(Br)S1
| PubChem CID | 3834570 |
|---|---|
| CAS | 174508-31-7 |
| Molecular Weight (g/mol) | 299.96 |
| MDL Number | MFCD01651770 |
| SMILES | BrC1=C2OCCOC2=C(Br)S1 |
| Synonym | 5,7-Dibromo-2,3-dihydrothieno[3,4-b][1,4]dioxine |
| IUPAC Name | 5,7-dibromo-2H,3H-thieno[3,4-b][1,4]dioxine |
| InChI Key | FHMRWRBNAIDRAP-UHFFFAOYSA-N |
| Molecular Formula | C6H4Br2O2S |
Dodecanal (stabilized with DL-alpha-Tocopherol) 95.0+%, TCI America™
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CAS: 112-54-9 Molecular Formula: C12H24O Molecular Weight (g/mol): 184.32 MDL Number: MFCD00007017 InChI Key: HFJRKMMYBMWEAD-UHFFFAOYSA-N Synonym: lauraldehyde,dodecyl aldehyde,lauric aldehyde,lauryl aldehyde,n-dodecanal,dodecanaldehyde,1-dodecanal,n-dodecyl aldehyde,n-lauraldehyde,n-dodecylic aldehyde PubChem CID: 8194 ChEBI: CHEBI:27836 IUPAC Name: dodecanal SMILES: CCCCCCCCCCCC=O
| PubChem CID | 8194 |
|---|---|
| CAS | 112-54-9 |
| Molecular Weight (g/mol) | 184.32 |
| ChEBI | CHEBI:27836 |
| MDL Number | MFCD00007017 |
| SMILES | CCCCCCCCCCCC=O |
| Synonym | lauraldehyde,dodecyl aldehyde,lauric aldehyde,lauryl aldehyde,n-dodecanal,dodecanaldehyde,1-dodecanal,n-dodecyl aldehyde,n-lauraldehyde,n-dodecylic aldehyde |
| IUPAC Name | dodecanal |
| InChI Key | HFJRKMMYBMWEAD-UHFFFAOYSA-N |
| Molecular Formula | C12H24O |
4'-Formylbenzo-18-crown 6-Ether 98.0+%, TCI America™
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CAS: 60835-74-7 Molecular Formula: C17H24O7 Molecular Weight (g/mol): 340.372 MDL Number: MFCD00388882 InChI Key: ALMXRNQJWRGNMG-UHFFFAOYSA-N Synonym: 2,3-(4-Formylbenzo)-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene PubChem CID: 12342344 IUPAC Name: 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carbaldehyde SMILES: C1COCCOCCOC2=C(C=CC(=C2)C=O)OCCOCCO1
| PubChem CID | 12342344 |
|---|---|
| CAS | 60835-74-7 |
| Molecular Weight (g/mol) | 340.372 |
| MDL Number | MFCD00388882 |
| SMILES | C1COCCOCCOC2=C(C=CC(=C2)C=O)OCCOCCO1 |
| Synonym | 2,3-(4-Formylbenzo)-1,4,7,10,13,16-hexaoxacyclooctadec-2-ene |
| IUPAC Name | 2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene-20-carbaldehyde |
| InChI Key | ALMXRNQJWRGNMG-UHFFFAOYSA-N |
| Molecular Formula | C17H24O7 |
4-Hydroxy-2,6-dimethoxybenzaldehyde 97.0+%, TCI America™
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CAS: 22080-96-2 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD01407645 InChI Key: HZWPJAZIRZFCGX-UHFFFAOYSA-N PubChem CID: 529894 IUPAC Name: 4-hydroxy-2,6-dimethoxybenzaldehyde SMILES: COC1=CC(O)=CC(OC)=C1C=O
| PubChem CID | 529894 |
|---|---|
| CAS | 22080-96-2 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD01407645 |
| SMILES | COC1=CC(O)=CC(OC)=C1C=O |
| IUPAC Name | 4-hydroxy-2,6-dimethoxybenzaldehyde |
| InChI Key | HZWPJAZIRZFCGX-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
2-(Trichloroacetyl)pyrrole 98.0+%, TCI America™
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CAS: 35302-72-8 Molecular Formula: C6H4Cl3NO Molecular Weight (g/mol): 212.454 MDL Number: MFCD00128757 InChI Key: BBFDGMDENAEMKF-UHFFFAOYSA-N Synonym: 2-trichloroacetyl pyrrole,2,2,2-trichloro-1-1h-pyrrol-2-yl ethanone,2,2,2-trichloro-1-1h-pyrrol-2-yl ethan-1-one,2-trichloroacetyl-1h-pyrrole,2-trichloroacetylpyrrole,2,2,2-trichloro-1-1h-pyrrol-2-yl-ethanone,ethanone, 2,2,2-trichloro-1-1h-pyrrol-2-yl,2,2,2-trichloro-1-pyrrol-2-ylethan-1-one,trichloroacetyl pyrrole PubChem CID: 321487 IUPAC Name: 2,2,2-trichloro-1-(1H-pyrrol-2-yl)ethanone SMILES: C1=CNC(=C1)C(=O)C(Cl)(Cl)Cl
| PubChem CID | 321487 |
|---|---|
| CAS | 35302-72-8 |
| Molecular Weight (g/mol) | 212.454 |
| MDL Number | MFCD00128757 |
| SMILES | C1=CNC(=C1)C(=O)C(Cl)(Cl)Cl |
| Synonym | 2-trichloroacetyl pyrrole,2,2,2-trichloro-1-1h-pyrrol-2-yl ethanone,2,2,2-trichloro-1-1h-pyrrol-2-yl ethan-1-one,2-trichloroacetyl-1h-pyrrole,2-trichloroacetylpyrrole,2,2,2-trichloro-1-1h-pyrrol-2-yl-ethanone,ethanone, 2,2,2-trichloro-1-1h-pyrrol-2-yl,2,2,2-trichloro-1-pyrrol-2-ylethan-1-one,trichloroacetyl pyrrole |
| IUPAC Name | 2,2,2-trichloro-1-(1H-pyrrol-2-yl)ethanone |
| InChI Key | BBFDGMDENAEMKF-UHFFFAOYSA-N |
| Molecular Formula | C6H4Cl3NO |
3',4'-Difluoroacetophenone 97.0+%, TCI America™
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CAS: 369-33-5 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.132 MDL Number: MFCD00009891 InChI Key: VWJSSJFLXRMYNV-UHFFFAOYSA-N Synonym: 3',4'-difluoroacetophenone,1-3,4-difluorophenyl ethanone,3,4-difluoroacetophenone,1-3,4-difluorophenyl ethan-1-one,ethanone, 1-3,4-difluorophenyl,1-3,4-difluoro-phenyl-ethanone,3,4,-difluoroacetophenone,1-acetyl-3,4-difluorobenzene,pubchem3089,acmc-209ipo PubChem CID: 123052 IUPAC Name: 1-(3,4-difluorophenyl)ethanone SMILES: CC(=O)C1=CC(=C(C=C1)F)F
| PubChem CID | 123052 |
|---|---|
| CAS | 369-33-5 |
| Molecular Weight (g/mol) | 156.132 |
| MDL Number | MFCD00009891 |
| SMILES | CC(=O)C1=CC(=C(C=C1)F)F |
| Synonym | 3',4'-difluoroacetophenone,1-3,4-difluorophenyl ethanone,3,4-difluoroacetophenone,1-3,4-difluorophenyl ethan-1-one,ethanone, 1-3,4-difluorophenyl,1-3,4-difluoro-phenyl-ethanone,3,4,-difluoroacetophenone,1-acetyl-3,4-difluorobenzene,pubchem3089,acmc-209ipo |
| IUPAC Name | 1-(3,4-difluorophenyl)ethanone |
| InChI Key | VWJSSJFLXRMYNV-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O |
3',5'-Dibromo-4'-hydroxyacetophenone 97.0+%, TCI America™
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CAS: 2887-72-1 Molecular Formula: C8H6Br2O2 Molecular Weight (g/mol): 293.94 MDL Number: MFCD00075779 InChI Key: ZNWPTJSBHHIXLJ-UHFFFAOYSA-N PubChem CID: 76158 IUPAC Name: 1-(3,5-dibromo-4-hydroxyphenyl)ethan-1-one SMILES: CC(=O)C1=CC(Br)=C(O)C(Br)=C1
| PubChem CID | 76158 |
|---|---|
| CAS | 2887-72-1 |
| Molecular Weight (g/mol) | 293.94 |
| MDL Number | MFCD00075779 |
| SMILES | CC(=O)C1=CC(Br)=C(O)C(Br)=C1 |
| IUPAC Name | 1-(3,5-dibromo-4-hydroxyphenyl)ethan-1-one |
| InChI Key | ZNWPTJSBHHIXLJ-UHFFFAOYSA-N |
| Molecular Formula | C8H6Br2O2 |
2-Hydroxy-4-methoxybenzaldehyde 98.0+%, TCI America™
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CAS: 673-22-3 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00003327 InChI Key: WZUODJNEIXSNEU-UHFFFAOYSA-N Synonym: 4-methoxysalicylaldehyde,benzaldehyde, 2-hydroxy-4-methoxy,4-methoxysalicyaldehyde,2-hydroxy-4-methoxy-benzaldehyde,o-hydroxy-p-methoxybenzaldehyde,p-anisaldehyde, 2-hydroxy,salicylaldehyde, 4-methoxy,2-hydroxy-p-anisaldehyde,2-formyl-5-methoxyphenol,unii-2n395p88lw PubChem CID: 69600 IUPAC Name: 2-hydroxy-4-methoxybenzaldehyde SMILES: COC1=CC=C(C=O)C(O)=C1
| PubChem CID | 69600 |
|---|---|
| CAS | 673-22-3 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00003327 |
| SMILES | COC1=CC=C(C=O)C(O)=C1 |
| Synonym | 4-methoxysalicylaldehyde,benzaldehyde, 2-hydroxy-4-methoxy,4-methoxysalicyaldehyde,2-hydroxy-4-methoxy-benzaldehyde,o-hydroxy-p-methoxybenzaldehyde,p-anisaldehyde, 2-hydroxy,salicylaldehyde, 4-methoxy,2-hydroxy-p-anisaldehyde,2-formyl-5-methoxyphenol,unii-2n395p88lw |
| IUPAC Name | 2-hydroxy-4-methoxybenzaldehyde |
| InChI Key | WZUODJNEIXSNEU-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
trans,cis-2,6-Nonadienal 95.0+%, TCI America™
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CAS: 557-48-2 Molecular Formula: C9H14O Molecular Weight (g/mol): 138.21 MDL Number: MFCD00007009 InChI Key: HZYHMHHBBBSGHB-ODYTWBPASA-N Synonym: trans-2,cis-6-nonadienal,violet leaf aldehyde,cucumber aldehyde,2e,6z-nona-2,6-dienal,2,6-nonadienal, 2e,6z,nona-2,6-dienal,e,z-2,6-nonadienal,2e,6z-nonadienal,2e,6z-nona-2,6-dien-1-al,2-trans-6-cis-nonadienal PubChem CID: 643731 ChEBI: CHEBI:7610 IUPAC Name: (2E,6Z)-nona-2,6-dienal SMILES: CCC=CCCC=CC=O
| PubChem CID | 643731 |
|---|---|
| CAS | 557-48-2 |
| Molecular Weight (g/mol) | 138.21 |
| ChEBI | CHEBI:7610 |
| MDL Number | MFCD00007009 |
| SMILES | CCC=CCCC=CC=O |
| Synonym | trans-2,cis-6-nonadienal,violet leaf aldehyde,cucumber aldehyde,2e,6z-nona-2,6-dienal,2,6-nonadienal, 2e,6z,nona-2,6-dienal,e,z-2,6-nonadienal,2e,6z-nonadienal,2e,6z-nona-2,6-dien-1-al,2-trans-6-cis-nonadienal |
| IUPAC Name | (2E,6Z)-nona-2,6-dienal |
| InChI Key | HZYHMHHBBBSGHB-ODYTWBPASA-N |
| Molecular Formula | C9H14O |
Methylionone (mixture of alpha- and beta-, predominantly alpha-n-isomer) 80.0+%, TCI America™
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CAS: 7779-30-8 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.329 MDL Number: MFCD00031478 InChI Key: VPKMGDRERYMTJX-CMDGGOBGSA-N PubChem CID: 5371084 IUPAC Name: (E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one SMILES: CCC(=O)C=CC1C(=CCCC1(C)C)C
| PubChem CID | 5371084 |
|---|---|
| CAS | 7779-30-8 |
| Molecular Weight (g/mol) | 206.329 |
| MDL Number | MFCD00031478 |
| SMILES | CCC(=O)C=CC1C(=CCCC1(C)C)C |
| IUPAC Name | (E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one |
| InChI Key | VPKMGDRERYMTJX-CMDGGOBGSA-N |
| Molecular Formula | C14H22O |
Melperone 95.0+%, TCI America™
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CAS: 3575-80-2 Molecular Formula: C16H23ClFNO Molecular Weight (g/mol): 299.81 MDL Number: MFCD00867737 InChI Key: MQHYXXIJLKFQGY-UHFFFAOYSA-N PubChem CID: 15387 IUPAC Name: 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperidin-1-ium chloride SMILES: [Cl-].CC1CC[NH+](CCCC(=O)C2=CC=C(F)C=C2)CC1
| PubChem CID | 15387 |
|---|---|
| CAS | 3575-80-2 |
| Molecular Weight (g/mol) | 299.81 |
| MDL Number | MFCD00867737 |
| SMILES | [Cl-].CC1CC[NH+](CCCC(=O)C2=CC=C(F)C=C2)CC1 |
| IUPAC Name | 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-methylpiperidin-1-ium chloride |
| InChI Key | MQHYXXIJLKFQGY-UHFFFAOYSA-N |
| Molecular Formula | C16H23ClFNO |
muco-Inositol 98.0+%, TCI America™
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CAS: 41546-34-3 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 MDL Number: MFCD01321249 InChI Key: CDAISMWEOUEBRE-UHFFFAOYSA-N PubChem CID: 892 ChEBI: CHEBI:24848 IUPAC Name: cyclohexane-1,2,3,4,5,6-hexol SMILES: C1(C(C(C(C(C1O)O)O)O)O)O
| PubChem CID | 892 |
|---|---|
| CAS | 41546-34-3 |
| Molecular Weight (g/mol) | 180.156 |
| ChEBI | CHEBI:24848 |
| MDL Number | MFCD01321249 |
| SMILES | C1(C(C(C(C(C1O)O)O)O)O)O |
| IUPAC Name | cyclohexane-1,2,3,4,5,6-hexol |
| InChI Key | CDAISMWEOUEBRE-UHFFFAOYSA-N |
| Molecular Formula | C6H12O6 |