Organooxygen compounds
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2-Ethylhexanal 95.0+%, TCI America™
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CAS: 123-05-7 Molecular Formula: C8H16O Molecular Weight (g/mol): 128.215 MDL Number: MFCD00006987 InChI Key: LGYNIFWIKSEESD-UHFFFAOYSA-N Synonym: hexanal, 2-ethyl,2-ethylhexaldehyde,2-ethylhexylaldehyde,3-formylheptane,2-ethylcaproaldehyde,butylethylacetaldehyde,ethylbutylacetaldehyde,ethylhexaldehyde,alpha-ethylcaproaldehyde,butyl ethyl acetaldehyde PubChem CID: 31241 IUPAC Name: 2-ethylhexanal SMILES: CCCCC(CC)C=O
| PubChem CID | 31241 |
|---|---|
| CAS | 123-05-7 |
| Molecular Weight (g/mol) | 128.215 |
| MDL Number | MFCD00006987 |
| SMILES | CCCCC(CC)C=O |
| Synonym | hexanal, 2-ethyl,2-ethylhexaldehyde,2-ethylhexylaldehyde,3-formylheptane,2-ethylcaproaldehyde,butylethylacetaldehyde,ethylbutylacetaldehyde,ethylhexaldehyde,alpha-ethylcaproaldehyde,butyl ethyl acetaldehyde |
| IUPAC Name | 2-ethylhexanal |
| InChI Key | LGYNIFWIKSEESD-UHFFFAOYSA-N |
| Molecular Formula | C8H16O |
2',3'-Dihydroxy-4'-methoxyacetophenone Hydrate 98.0+%, TCI America™
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CAS: 708-53-2 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00180772 InChI Key: VCONERRCKOKCHE-UHFFFAOYSA-N PubChem CID: 12820 IUPAC Name: 1-(2,3-dihydroxy-4-methoxyphenyl)ethanone SMILES: CC(=O)C1=C(C(=C(C=C1)OC)O)O
| PubChem CID | 12820 |
|---|---|
| CAS | 708-53-2 |
| Molecular Weight (g/mol) | 182.175 |
| MDL Number | MFCD00180772 |
| SMILES | CC(=O)C1=C(C(=C(C=C1)OC)O)O |
| IUPAC Name | 1-(2,3-dihydroxy-4-methoxyphenyl)ethanone |
| InChI Key | VCONERRCKOKCHE-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
Di-tert-butyl Malonate 98.0+%, TCI America™
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CAS: 541-16-2 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.277 MDL Number: MFCD00008810 InChI Key: CLPHAYNBNTVRDI-UHFFFAOYSA-N Synonym: di-tert-butyl malonate,malonic acid di-tert-butyl ester,propanedioic acid, bis 1,1-dimethylethyl ester,di-t-butylmalonate,di-t-butyl malonate,unii-7e9xwt9380,1,3-di-tert-butyl propanedioate,di tert-butyl malonate,tert-butyl 2-tert-butoxycarbonyl acetate,di-tert-butyl malonate, stab. with potassium carbonate PubChem CID: 68324 IUPAC Name: ditert-butyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OC(C)(C)C
| PubChem CID | 68324 |
|---|---|
| CAS | 541-16-2 |
| Molecular Weight (g/mol) | 216.277 |
| MDL Number | MFCD00008810 |
| SMILES | CC(C)(C)OC(=O)CC(=O)OC(C)(C)C |
| Synonym | di-tert-butyl malonate,malonic acid di-tert-butyl ester,propanedioic acid, bis 1,1-dimethylethyl ester,di-t-butylmalonate,di-t-butyl malonate,unii-7e9xwt9380,1,3-di-tert-butyl propanedioate,di tert-butyl malonate,tert-butyl 2-tert-butoxycarbonyl acetate,di-tert-butyl malonate, stab. with potassium carbonate |
| IUPAC Name | ditert-butyl propanedioate |
| InChI Key | CLPHAYNBNTVRDI-UHFFFAOYSA-N |
| Molecular Formula | C11H20O4 |
4-Bromo-1-indanone 97.0+%, TCI America™
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CAS: 15115-60-3 Molecular Formula: C9H7BrO Molecular Weight (g/mol): 211.06 MDL Number: MFCD01719772 InChI Key: UVVYFYLSZIMKMC-UHFFFAOYSA-N Synonym: 4-bromo-1-indanone,4-bromo-indan-1-one,4-bromoindan-1-one,4-bromo-2,3-dihydro-1h-inden-1-one,1-indanone, 4-bromo,4-bromohydrindone-1,1h-inden-1-one, 4-bromo-2,3-dihydro,4-bromoindanone,4-bromo indanone,4-bromo-indanone PubChem CID: 98713 IUPAC Name: 4-bromo-2,3-dihydro-1H-inden-1-one SMILES: BrC1=CC=CC2=C1CCC2=O
| PubChem CID | 98713 |
|---|---|
| CAS | 15115-60-3 |
| Molecular Weight (g/mol) | 211.06 |
| MDL Number | MFCD01719772 |
| SMILES | BrC1=CC=CC2=C1CCC2=O |
| Synonym | 4-bromo-1-indanone,4-bromo-indan-1-one,4-bromoindan-1-one,4-bromo-2,3-dihydro-1h-inden-1-one,1-indanone, 4-bromo,4-bromohydrindone-1,1h-inden-1-one, 4-bromo-2,3-dihydro,4-bromoindanone,4-bromo indanone,4-bromo-indanone |
| IUPAC Name | 4-bromo-2,3-dihydro-1H-inden-1-one |
| InChI Key | UVVYFYLSZIMKMC-UHFFFAOYSA-N |
| Molecular Formula | C9H7BrO |
2,6-Dibromoanthraquinone 95.0+%, TCI America™
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CAS: 633-70-5 Molecular Formula: C14H6Br2O2 Molecular Weight (g/mol): 366.01 MDL Number: MFCD08276344 InChI Key: JUFYHUWBLXKCJM-UHFFFAOYSA-N PubChem CID: 10959484 IUPAC Name: 2,6-dibromo-9,10-dihydroanthracene-9,10-dione SMILES: BrC1=CC2=C(C=C1)C(=O)C1=C(C=CC(Br)=C1)C2=O
| PubChem CID | 10959484 |
|---|---|
| CAS | 633-70-5 |
| Molecular Weight (g/mol) | 366.01 |
| MDL Number | MFCD08276344 |
| SMILES | BrC1=CC2=C(C=C1)C(=O)C1=C(C=CC(Br)=C1)C2=O |
| IUPAC Name | 2,6-dibromo-9,10-dihydroanthracene-9,10-dione |
| InChI Key | JUFYHUWBLXKCJM-UHFFFAOYSA-N |
| Molecular Formula | C14H6Br2O2 |
3-Benzyloxybenzaldehyde 98.0+%, TCI America™
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CAS: 1700-37-4 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.248 MDL Number: MFCD00003367 InChI Key: JAICGBJIBWDEIZ-UHFFFAOYSA-N Synonym: 3-benzyloxybenzaldehyde,3-benzyloxy benzaldehyde,benzaldehyde, 3-phenylmethoxy,m-benzyloxybenzaldehyde,benzaldehyde, m-benzyloxy,3-phenylmethoxy benzaldehyde,3-benzyloxy-benzaldehyde,unii-k1s6ob2gnn,k1s6ob2gnn PubChem CID: 74342 IUPAC Name: 3-phenylmethoxybenzaldehyde SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)C=O
| PubChem CID | 74342 |
|---|---|
| CAS | 1700-37-4 |
| Molecular Weight (g/mol) | 212.248 |
| MDL Number | MFCD00003367 |
| SMILES | C1=CC=C(C=C1)COC2=CC=CC(=C2)C=O |
| Synonym | 3-benzyloxybenzaldehyde,3-benzyloxy benzaldehyde,benzaldehyde, 3-phenylmethoxy,m-benzyloxybenzaldehyde,benzaldehyde, m-benzyloxy,3-phenylmethoxy benzaldehyde,3-benzyloxy-benzaldehyde,unii-k1s6ob2gnn,k1s6ob2gnn |
| IUPAC Name | 3-phenylmethoxybenzaldehyde |
| InChI Key | JAICGBJIBWDEIZ-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
3',5'-Difluoroacetophenone 97.0+%, TCI America™
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CAS: 123577-99-1 Molecular Formula: C8H6F2O Molecular Weight (g/mol): 156.13 MDL Number: MFCD00042489 InChI Key: OXJLDNSPGPBDCP-UHFFFAOYSA-N Synonym: 3',5'-difluoroacetophenone,3,5-difluoroacetophenone,1-3,5-difluorophenyl ethanone,1-3,5-difluorophenyl ethan-1-one,ethanone, 1-3,5-difluorophenyl,1-acetyl-3,5-difluorobenzene,1-3,5-difluoro-phenyl-ethanone,pubchem2179,acmc-1cacd,3,5-di-fluoroacetophenone PubChem CID: 518596 IUPAC Name: 1-(3,5-difluorophenyl)ethan-1-one SMILES: CC(=O)C1=CC(F)=CC(F)=C1
| PubChem CID | 518596 |
|---|---|
| CAS | 123577-99-1 |
| Molecular Weight (g/mol) | 156.13 |
| MDL Number | MFCD00042489 |
| SMILES | CC(=O)C1=CC(F)=CC(F)=C1 |
| Synonym | 3',5'-difluoroacetophenone,3,5-difluoroacetophenone,1-3,5-difluorophenyl ethanone,1-3,5-difluorophenyl ethan-1-one,ethanone, 1-3,5-difluorophenyl,1-acetyl-3,5-difluorobenzene,1-3,5-difluoro-phenyl-ethanone,pubchem2179,acmc-1cacd,3,5-di-fluoroacetophenone |
| IUPAC Name | 1-(3,5-difluorophenyl)ethan-1-one |
| InChI Key | OXJLDNSPGPBDCP-UHFFFAOYSA-N |
| Molecular Formula | C8H6F2O |
4-Heptyloxybenzaldehyde 98.0+%, TCI America™
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CAS: 27893-41-0 Molecular Formula: C14H20O2 Molecular Weight (g/mol): 220.312 MDL Number: MFCD00016616 InChI Key: YBCKMIZXHKVONZ-UHFFFAOYSA-N Synonym: 4-heptyloxybenzaldehyde,4-heptyloxy benzaldehyde,p-heptyloxybenzaldehyde,4-n-heptyloxybenzaldehyde,benzaldehyde, 4-heptyloxy,p-heptyloxy benzaldehyde,4-n-heptoxybenzaldehyde,4-heptyloxy-benzaldehyde,p-n-heptoxybenzaldehyde,acmc-209gzj PubChem CID: 119740 IUPAC Name: 4-heptoxybenzaldehyde SMILES: CCCCCCCOC1=CC=C(C=C1)C=O
| PubChem CID | 119740 |
|---|---|
| CAS | 27893-41-0 |
| Molecular Weight (g/mol) | 220.312 |
| MDL Number | MFCD00016616 |
| SMILES | CCCCCCCOC1=CC=C(C=C1)C=O |
| Synonym | 4-heptyloxybenzaldehyde,4-heptyloxy benzaldehyde,p-heptyloxybenzaldehyde,4-n-heptyloxybenzaldehyde,benzaldehyde, 4-heptyloxy,p-heptyloxy benzaldehyde,4-n-heptoxybenzaldehyde,4-heptyloxy-benzaldehyde,p-n-heptoxybenzaldehyde,acmc-209gzj |
| IUPAC Name | 4-heptoxybenzaldehyde |
| InChI Key | YBCKMIZXHKVONZ-UHFFFAOYSA-N |
| Molecular Formula | C14H20O2 |
1,4-Dichloroanthraquinone 98.0+%, TCI America™
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CAS: 602-25-5 Molecular Formula: C14H6Cl2O2 Molecular Weight (g/mol): 277.10 MDL Number: MFCD00192002 InChI Key: CAHGWVAXFJXDNI-UHFFFAOYSA-N PubChem CID: 4179424 IUPAC Name: 1,4-dichloro-9,10-dihydroanthracene-9,10-dione SMILES: ClC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(Cl)C=C1
| PubChem CID | 4179424 |
|---|---|
| CAS | 602-25-5 |
| Molecular Weight (g/mol) | 277.10 |
| MDL Number | MFCD00192002 |
| SMILES | ClC1=C2C(=O)C3=CC=CC=C3C(=O)C2=C(Cl)C=C1 |
| IUPAC Name | 1,4-dichloro-9,10-dihydroanthracene-9,10-dione |
| InChI Key | CAHGWVAXFJXDNI-UHFFFAOYSA-N |
| Molecular Formula | C14H6Cl2O2 |
Bis(2-hydroxyethyl)dithiocarbamic Acid Zinc(II) Salt 98.0+%, TCI America™
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CAS: 19163-92-9 Molecular Formula: C10H20N2O4S4Zn Molecular Weight (g/mol): 425.9 MDL Number: MFCD00070508 InChI Key: BRJVMKALQCUXPN-UHFFFAOYSA-L Synonym: Bis[bis(2-hydroxyethyl)dithiocarbamato]zinc(II) PubChem CID: 87948 IUPAC Name: zinc;N,N-bis(2-hydroxyethyl)carbamodithioate SMILES: C(CO)N(CCO)C(=S)[S-].C(CO)N(CCO)C(=S)[S-].[Zn+2]
| PubChem CID | 87948 |
|---|---|
| CAS | 19163-92-9 |
| Molecular Weight (g/mol) | 425.9 |
| MDL Number | MFCD00070508 |
| SMILES | C(CO)N(CCO)C(=S)[S-].C(CO)N(CCO)C(=S)[S-].[Zn+2] |
| Synonym | Bis[bis(2-hydroxyethyl)dithiocarbamato]zinc(II) |
| IUPAC Name | zinc;N,N-bis(2-hydroxyethyl)carbamodithioate |
| InChI Key | BRJVMKALQCUXPN-UHFFFAOYSA-L |
| Molecular Formula | C10H20N2O4S4Zn |
(S)-(+)-2,2-Dimethyl-1,3-dioxolane-4-methanol 98.0+%, TCI America™
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CAS: 22323-82-6 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00063239 InChI Key: RNVYQYLELCKWAN-UHFFFAOYNA-N Synonym: s-+-2,2-dimethyl-1,3-dioxolane-4-methanol,s-glycerol acetonide,s-+-1,2-isopropylideneglycerol,4s-2,2-dimethyl-1,3-dioxolan-4-yl methanol,s-2,2-dimethyl-1,3-dioxolane-4-methanol,s-solketal,1,2-isopropylidene-sn-glycerol,s-+-2,3-o-isopropylideneglycerol,1,3-dioxolane-4-methanol, 2,2-dimethyl-, 4s,s-2,2-dimethyl-1,3-dioxolan-4-yl methanol PubChem CID: 736057 IUPAC Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methanol SMILES: CC1(C)OCC(CO)O1
| PubChem CID | 736057 |
|---|---|
| CAS | 22323-82-6 |
| Molecular Weight (g/mol) | 132.16 |
| MDL Number | MFCD00063239 |
| SMILES | CC1(C)OCC(CO)O1 |
| Synonym | s-+-2,2-dimethyl-1,3-dioxolane-4-methanol,s-glycerol acetonide,s-+-1,2-isopropylideneglycerol,4s-2,2-dimethyl-1,3-dioxolan-4-yl methanol,s-2,2-dimethyl-1,3-dioxolane-4-methanol,s-solketal,1,2-isopropylidene-sn-glycerol,s-+-2,3-o-isopropylideneglycerol,1,3-dioxolane-4-methanol, 2,2-dimethyl-, 4s,s-2,2-dimethyl-1,3-dioxolan-4-yl methanol |
| IUPAC Name | (2,2-dimethyl-1,3-dioxolan-4-yl)methanol |
| InChI Key | RNVYQYLELCKWAN-UHFFFAOYNA-N |
| Molecular Formula | C6H12O3 |
4-Methoxy-1-naphthalenemethanol 96.0+%, TCI America™
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CAS: 16820-54-5 Molecular Formula: C12H12O2 Molecular Weight (g/mol): 188.226 MDL Number: MFCD04089264 InChI Key: VBXSDYNXURBEQH-UHFFFAOYSA-N Synonym: 1-(Hydroxymethyl)-4-methoxynaphthalene PubChem CID: 900419 IUPAC Name: (4-methoxynaphthalen-1-yl)methanol SMILES: COC1=CC=C(C2=CC=CC=C21)CO
| PubChem CID | 900419 |
|---|---|
| CAS | 16820-54-5 |
| Molecular Weight (g/mol) | 188.226 |
| MDL Number | MFCD04089264 |
| SMILES | COC1=CC=C(C2=CC=CC=C21)CO |
| Synonym | 1-(Hydroxymethyl)-4-methoxynaphthalene |
| IUPAC Name | (4-methoxynaphthalen-1-yl)methanol |
| InChI Key | VBXSDYNXURBEQH-UHFFFAOYSA-N |
| Molecular Formula | C12H12O2 |
Sodium 4-Acetylbenzenesulfonate 98.0+%, TCI America™
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CAS: 61827-67-6 Molecular Formula: C8H7NaO4S Molecular Weight (g/mol): 222.19 MDL Number: MFCD00007510 InChI Key: PUWCULQGLSPCMQ-UHFFFAOYSA-M Synonym: 4′C-Acetophenonesulfonic Acid Sodium Salt, 4-Acetylbenzenesulfonic Acid Sodium Salt PubChem CID: 23668814 IUPAC Name: sodium;4-acetylbenzenesulfonate SMILES: CC(=O)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
| PubChem CID | 23668814 |
|---|---|
| CAS | 61827-67-6 |
| Molecular Weight (g/mol) | 222.19 |
| MDL Number | MFCD00007510 |
| SMILES | CC(=O)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+] |
| Synonym | 4′C-Acetophenonesulfonic Acid Sodium Salt, 4-Acetylbenzenesulfonic Acid Sodium Salt |
| IUPAC Name | sodium;4-acetylbenzenesulfonate |
| InChI Key | PUWCULQGLSPCMQ-UHFFFAOYSA-M |
| Molecular Formula | C8H7NaO4S |
Ethyl 4,4,5,5,5-Pentafluoro-3-oxovalerate 96.0+%, TCI America™
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CAS: 663-35-4 Molecular Formula: C7H7F5O3 Molecular Weight (g/mol): 234.12 MDL Number: MFCD00013569 InChI Key: MWGSZQXKIYWSFS-UHFFFAOYSA-N Synonym: ethyl pentafluoropropionylacetate,ethyl 4,4,5,5,5-pentafluoro-3-oxovalerate,ethyl pentafluoropropionyl acetate,ethyl pentafluoropropanoyl acetate,4,4,5,5,5-pentafluoro-3-oxovaleric acid ethyl,pentanoic acid, 4,4,5,5,5-pentafluoro-3-oxo-, ethyl ester,acmc-209nuz,ethyl pentafluoropropionyl ace tate PubChem CID: 522203 IUPAC Name: ethyl 4,4,5,5,5-pentafluoro-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(F)(F)C(F)(F)F
| PubChem CID | 522203 |
|---|---|
| CAS | 663-35-4 |
| Molecular Weight (g/mol) | 234.12 |
| MDL Number | MFCD00013569 |
| SMILES | CCOC(=O)CC(=O)C(F)(F)C(F)(F)F |
| Synonym | ethyl pentafluoropropionylacetate,ethyl 4,4,5,5,5-pentafluoro-3-oxovalerate,ethyl pentafluoropropionyl acetate,ethyl pentafluoropropanoyl acetate,4,4,5,5,5-pentafluoro-3-oxovaleric acid ethyl,pentanoic acid, 4,4,5,5,5-pentafluoro-3-oxo-, ethyl ester,acmc-209nuz,ethyl pentafluoropropionyl ace tate |
| IUPAC Name | ethyl 4,4,5,5,5-pentafluoro-3-oxopentanoate |
| InChI Key | MWGSZQXKIYWSFS-UHFFFAOYSA-N |
| Molecular Formula | C7H7F5O3 |
Anthraquinone 98.0+%, TCI America™
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CAS: 84-65-1 Molecular Formula: C14H8O2 Molecular Weight (g/mol): 208.22 MDL Number: MFCD00001188 InChI Key: RZVHIXYEVGDQDX-UHFFFAOYSA-N Synonym: anthraquinone,9,10-anthraquinone,9,10-anthracenedione,anthradione,hoelite,9,10-dioxoanthracene,corbit,morkit,9,10-anthrachinon,anthra-9,10-quinone PubChem CID: 6780 ChEBI: CHEBI:40448 IUPAC Name: 9,10-dihydroanthracene-9,10-dione SMILES: O=C1C2=CC=CC=C2C(=O)C2=CC=CC=C12
| PubChem CID | 6780 |
|---|---|
| CAS | 84-65-1 |
| Molecular Weight (g/mol) | 208.22 |
| ChEBI | CHEBI:40448 |
| MDL Number | MFCD00001188 |
| SMILES | O=C1C2=CC=CC=C2C(=O)C2=CC=CC=C12 |
| Synonym | anthraquinone,9,10-anthraquinone,9,10-anthracenedione,anthradione,hoelite,9,10-dioxoanthracene,corbit,morkit,9,10-anthrachinon,anthra-9,10-quinone |
| IUPAC Name | 9,10-dihydroanthracene-9,10-dione |
| InChI Key | RZVHIXYEVGDQDX-UHFFFAOYSA-N |
| Molecular Formula | C14H8O2 |