Organooxygen compounds
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4-Methylsalicylaldehyde 98.0+%, TCI America™
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CAS: 698-27-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00799550 InChI Key: JODRRPJMQDFCBJ-UHFFFAOYSA-N Synonym: 4-methylsalicylaldehyde,2,4-cresotaldehyde,benzaldehyde, 2-hydroxy-4-methyl,4-methyl-2-hydroxybenzaldehyde,2-hydroxy-4-methyl-benzaldehyde,2-formyl-5-methylphenol,4-methylsalicyclic aldehyde,unii-9n0s26g61j,4-methyl salicylaldehyde,homosalicylaldehyde, m PubChem CID: 61200 IUPAC Name: 2-hydroxy-4-methylbenzaldehyde SMILES: CC1=CC=C(C=O)C(O)=C1
| PubChem CID | 61200 |
|---|---|
| CAS | 698-27-1 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00799550 |
| SMILES | CC1=CC=C(C=O)C(O)=C1 |
| Synonym | 4-methylsalicylaldehyde,2,4-cresotaldehyde,benzaldehyde, 2-hydroxy-4-methyl,4-methyl-2-hydroxybenzaldehyde,2-hydroxy-4-methyl-benzaldehyde,2-formyl-5-methylphenol,4-methylsalicyclic aldehyde,unii-9n0s26g61j,4-methyl salicylaldehyde,homosalicylaldehyde, m |
| IUPAC Name | 2-hydroxy-4-methylbenzaldehyde |
| InChI Key | JODRRPJMQDFCBJ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
1,4-Di(2-thienyl)-1,4-butanedione 95.0+%, TCI America™
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CAS: 13669-05-1 Molecular Formula: C12H10O2S2 Molecular Weight (g/mol): 250.33 MDL Number: MFCD00208362 InChI Key: QJGKCQWQNOPAMG-UHFFFAOYSA-N PubChem CID: 151814 IUPAC Name: 1,4-bis(thiophen-2-yl)butane-1,4-dione SMILES: O=C(CCC(=O)C1=CC=CS1)C1=CC=CS1
| PubChem CID | 151814 |
|---|---|
| CAS | 13669-05-1 |
| Molecular Weight (g/mol) | 250.33 |
| MDL Number | MFCD00208362 |
| SMILES | O=C(CCC(=O)C1=CC=CS1)C1=CC=CS1 |
| IUPAC Name | 1,4-bis(thiophen-2-yl)butane-1,4-dione |
| InChI Key | QJGKCQWQNOPAMG-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2S2 |
4-(Trifluoromethyl)cyclohexanemethanol (cis- and trans- mixture) 98.0+%, TCI America™
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CAS: 883731-58-6 Molecular Formula: C8H13F3O Molecular Weight (g/mol): 182.19 MDL Number: MFCD21324328,MFCD29054589 InChI Key: DYUAPKHFRXRMTL-UHFFFAOYSA-N PubChem CID: 44228198 IUPAC Name: [4-(trifluoromethyl)cyclohexyl]methanol SMILES: OCC1CCC(CC1)C(F)(F)F
| PubChem CID | 44228198 |
|---|---|
| CAS | 883731-58-6 |
| Molecular Weight (g/mol) | 182.19 |
| MDL Number | MFCD21324328,MFCD29054589 |
| SMILES | OCC1CCC(CC1)C(F)(F)F |
| IUPAC Name | [4-(trifluoromethyl)cyclohexyl]methanol |
| InChI Key | DYUAPKHFRXRMTL-UHFFFAOYSA-N |
| Molecular Formula | C8H13F3O |
D-(-)-Quinic Acid 98.0+%, TCI America™
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CAS: 77-95-2 Molecular Formula: C7H12O6 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00003864 InChI Key: AAWZDTNXLSGCEK-UHFFFAOYNA-N Synonym: quinic acid,d---quinic acid,--quinic acid,chinic acid,kinic acid,chinasaure,quinate,l-quinic acid,d-quinic acid,unii-058c04bgyi PubChem CID: 6508 IUPAC Name: 1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid SMILES: OC1CC(O)(CC(O)C1O)C(O)=O
| PubChem CID | 6508 |
|---|---|
| CAS | 77-95-2 |
| Molecular Weight (g/mol) | 192.17 |
| MDL Number | MFCD00003864 |
| SMILES | OC1CC(O)(CC(O)C1O)C(O)=O |
| Synonym | quinic acid,d---quinic acid,--quinic acid,chinic acid,kinic acid,chinasaure,quinate,l-quinic acid,d-quinic acid,unii-058c04bgyi |
| IUPAC Name | 1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid |
| InChI Key | AAWZDTNXLSGCEK-UHFFFAOYNA-N |
| Molecular Formula | C7H12O6 |
3-Methyl-1,3-butanediol 98.0+%, TCI America™
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CAS: 2568-33-4 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.149 MDL Number: MFCD00059655 InChI Key: XPFCZYUVICHKDS-UHFFFAOYSA-N Synonym: 3-methyl-1,3-butanediol,1,3-butanediol, 3-methyl,isopentyldiol,2-methyl-2,4-butanediol,unii-19nol5474q,2,4-dihydroxy-2-methylbutane,3-methyl-butane-1,3-diol,1,3-butanediol,3-methyl,3-methyl-1,3-butandiol,3-methylbutan-1,3-diol PubChem CID: 247470 IUPAC Name: 3-methylbutane-1,3-diol SMILES: CC(C)(CCO)O
| PubChem CID | 247470 |
|---|---|
| CAS | 2568-33-4 |
| Molecular Weight (g/mol) | 104.149 |
| MDL Number | MFCD00059655 |
| SMILES | CC(C)(CCO)O |
| Synonym | 3-methyl-1,3-butanediol,1,3-butanediol, 3-methyl,isopentyldiol,2-methyl-2,4-butanediol,unii-19nol5474q,2,4-dihydroxy-2-methylbutane,3-methyl-butane-1,3-diol,1,3-butanediol,3-methyl,3-methyl-1,3-butandiol,3-methylbutan-1,3-diol |
| IUPAC Name | 3-methylbutane-1,3-diol |
| InChI Key | XPFCZYUVICHKDS-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |
4'-(Difluoromethoxy)acetophenone 98.0+%, TCI America™
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CAS: 83882-67-1 Molecular Formula: C9H8F2O2 Molecular Weight (g/mol): 186.158 MDL Number: MFCD00042250 InChI Key: GIGWRVLNOYPOIT-UHFFFAOYSA-N PubChem CID: 737356 IUPAC Name: 1-[4-(difluoromethoxy)phenyl]ethanone SMILES: CC(=O)C1=CC=C(C=C1)OC(F)F
| PubChem CID | 737356 |
|---|---|
| CAS | 83882-67-1 |
| Molecular Weight (g/mol) | 186.158 |
| MDL Number | MFCD00042250 |
| SMILES | CC(=O)C1=CC=C(C=C1)OC(F)F |
| IUPAC Name | 1-[4-(difluoromethoxy)phenyl]ethanone |
| InChI Key | GIGWRVLNOYPOIT-UHFFFAOYSA-N |
| Molecular Formula | C9H8F2O2 |
4-Acetyldiphenyl Sulfide 98.0+%, TCI America™
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CAS: 10169-55-8 Molecular Formula: C14H12OS Molecular Weight (g/mol): 228.31 MDL Number: MFCD00026227 InChI Key: XUDYHODVSUXRPW-UHFFFAOYSA-N Synonym: 4-acetyldiphenyl sulfide,1-4-phenylthio phenyl ethanone,4-acetyl diphenyl sulfide,4'-phenylthio acetophenone,1-4-phenylsulfanyl phenyl ethanone,1-4-phenylsulfanylphenyl ethanone,1-4-phenylthio phenyl ethan-1-one,ethanone, 1-4-phenylthio phenyl,1-acetyl-4-phenylthiobenzene PubChem CID: 66287 IUPAC Name: 1-[4-(phenylsulfanyl)phenyl]ethan-1-one SMILES: CC(=O)C1=CC=C(SC2=CC=CC=C2)C=C1
| PubChem CID | 66287 |
|---|---|
| CAS | 10169-55-8 |
| Molecular Weight (g/mol) | 228.31 |
| MDL Number | MFCD00026227 |
| SMILES | CC(=O)C1=CC=C(SC2=CC=CC=C2)C=C1 |
| Synonym | 4-acetyldiphenyl sulfide,1-4-phenylthio phenyl ethanone,4-acetyl diphenyl sulfide,4'-phenylthio acetophenone,1-4-phenylsulfanyl phenyl ethanone,1-4-phenylsulfanylphenyl ethanone,1-4-phenylthio phenyl ethan-1-one,ethanone, 1-4-phenylthio phenyl,1-acetyl-4-phenylthiobenzene |
| IUPAC Name | 1-[4-(phenylsulfanyl)phenyl]ethan-1-one |
| InChI Key | XUDYHODVSUXRPW-UHFFFAOYSA-N |
| Molecular Formula | C14H12OS |
Octaethylene Glycol 96.0+%, TCI America™
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CAS: 5117-19-1 Molecular Formula: C16H34O9 Molecular Weight (g/mol): 370.439 MDL Number: MFCD00698694 InChI Key: GLZWNFNQMJAZGY-UHFFFAOYSA-N PubChem CID: 78798 ChEBI: CHEBI:44794 IUPAC Name: 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol SMILES: C(COCCOCCOCCOCCOCCOCCOCCO)O
| PubChem CID | 78798 |
|---|---|
| CAS | 5117-19-1 |
| Molecular Weight (g/mol) | 370.439 |
| ChEBI | CHEBI:44794 |
| MDL Number | MFCD00698694 |
| SMILES | C(COCCOCCOCCOCCOCCOCCOCCO)O |
| IUPAC Name | 2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
| InChI Key | GLZWNFNQMJAZGY-UHFFFAOYSA-N |
| Molecular Formula | C16H34O9 |
Diethylene Glycol Dibenzoate 97.0+%, TCI America™
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CAS: 120-55-8 Molecular Formula: C18H18O5 Molecular Weight (g/mol): 314.34 MDL Number: MFCD00020679 InChI Key: NXQMCAOPTPLPRL-UHFFFAOYSA-N PubChem CID: 8437 IUPAC Name: 2-[2-(benzoyloxy)ethoxy]ethyl benzoate SMILES: O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 8437 |
|---|---|
| CAS | 120-55-8 |
| Molecular Weight (g/mol) | 314.34 |
| MDL Number | MFCD00020679 |
| SMILES | O=C(OCCOCCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | 2-[2-(benzoyloxy)ethoxy]ethyl benzoate |
| InChI Key | NXQMCAOPTPLPRL-UHFFFAOYSA-N |
| Molecular Formula | C18H18O5 |
cis-3,3,5-Trimethylcyclohexanol 96.0+%, TCI America™
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CAS: 933-48-2 Molecular Formula: C9H18O Molecular Weight (g/mol): 142.242 MDL Number: MFCD00070479 InChI Key: BRRVXFOKWJKTGG-JGVFFNPUSA-N PubChem CID: 1550823 IUPAC Name: (1R,5R)-3,3,5-trimethylcyclohexan-1-ol SMILES: CC1CC(CC(C1)(C)C)O
| PubChem CID | 1550823 |
|---|---|
| CAS | 933-48-2 |
| Molecular Weight (g/mol) | 142.242 |
| MDL Number | MFCD00070479 |
| SMILES | CC1CC(CC(C1)(C)C)O |
| IUPAC Name | (1R,5R)-3,3,5-trimethylcyclohexan-1-ol |
| InChI Key | BRRVXFOKWJKTGG-JGVFFNPUSA-N |
| Molecular Formula | C9H18O |
2-(Hydroxymethyl)-18-crown 6-Ether 93.0+%, TCI America™
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CAS: 70069-04-4 Molecular Formula: C13H26O7 Molecular Weight (g/mol): 294.34 MDL Number: MFCD00188046 InChI Key: HFRGASADQCZXHH-UHFFFAOYNA-N Synonym: 1,4,7,10,13,16-hexaoxacyclooctadecane-2-methanol,2-hydroxymethyl-18-crown-6,2-hydroxymethyl-18-crown 6-ether,1,4,7,10,13,16-hexaoxacyclooctadecan-2-ylmethanol,hydroxy-18-crown-6,18-crown-6-methanol,hydroxymethyl-18-crown-6,hfrgasadqczxhh-uhfffaoysa,2-hydroxymethyl-18-crown,2,5,8,11,14,17-hexaoxacyclooctadecyl methan-1-ol PubChem CID: 3611393 IUPAC Name: (1,4,7,10,13,16-hexaoxacyclooctadecan-2-yl)methanol SMILES: OCC1COCCOCCOCCOCCOCCO1
| PubChem CID | 3611393 |
|---|---|
| CAS | 70069-04-4 |
| Molecular Weight (g/mol) | 294.34 |
| MDL Number | MFCD00188046 |
| SMILES | OCC1COCCOCCOCCOCCOCCO1 |
| Synonym | 1,4,7,10,13,16-hexaoxacyclooctadecane-2-methanol,2-hydroxymethyl-18-crown-6,2-hydroxymethyl-18-crown 6-ether,1,4,7,10,13,16-hexaoxacyclooctadecan-2-ylmethanol,hydroxy-18-crown-6,18-crown-6-methanol,hydroxymethyl-18-crown-6,hfrgasadqczxhh-uhfffaoysa,2-hydroxymethyl-18-crown,2,5,8,11,14,17-hexaoxacyclooctadecyl methan-1-ol |
| IUPAC Name | (1,4,7,10,13,16-hexaoxacyclooctadecan-2-yl)methanol |
| InChI Key | HFRGASADQCZXHH-UHFFFAOYNA-N |
| Molecular Formula | C13H26O7 |
Octaethylene Glycol Monomethyl Ether 96.0+%, TCI America™
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CAS: 25990-96-9 Molecular Formula: C17H36O9 Molecular Weight (g/mol): 384.47 MDL Number: MFCD06797152 InChI Key: SZGNWRSFHADOMY-UHFFFAOYSA-N Synonym: mPEG8-Alcohol PubChem CID: 526558 IUPAC Name: 2,5,8,11,14,17,20,23-octaoxapentacosan-25-ol SMILES: COCCOCCOCCOCCOCCOCCOCCOCCO
| PubChem CID | 526558 |
|---|---|
| CAS | 25990-96-9 |
| Molecular Weight (g/mol) | 384.47 |
| MDL Number | MFCD06797152 |
| SMILES | COCCOCCOCCOCCOCCOCCOCCOCCO |
| Synonym | mPEG8-Alcohol |
| IUPAC Name | 2,5,8,11,14,17,20,23-octaoxapentacosan-25-ol |
| InChI Key | SZGNWRSFHADOMY-UHFFFAOYSA-N |
| Molecular Formula | C17H36O9 |
5'-Chloro-2'-hydroxy-3'-nitroacetophenone 98.0+%, TCI America™
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CAS: 84942-40-5 Molecular Formula: C8H6ClNO4 Molecular Weight (g/mol): 215.589 MDL Number: MFCD00191921 InChI Key: IUNBIQBAYUBIFD-UHFFFAOYSA-N Synonym: 5'-chloro-2'-hydroxy-3'-nitroacetophenone,1-5-chloro-2-hydroxy-3-nitrophenyl ethanone,2-acetyl-6-nitro-4-chlorophenol,2-acetyl-6-nitro-4-chloro phenol,2-acetyl-4-chloro-6-nitrophenol,5-chloro-3-nitro-2-hydroxyacetophenone,benzoic acid,5-chloro-2-hydroxy-3-nitro,ethanone, 1-5-chloro-2-hydroxy-3-nitrophenyl,1-acetyl-5-chloro-2-hydroxy-3-nitrobenzene,pubchem3355 PubChem CID: 688237 SMILES: CC(=O)C1=CC(=CC(=C1O)[N+](=O)[O-])Cl
| PubChem CID | 688237 |
|---|---|
| CAS | 84942-40-5 |
| Molecular Weight (g/mol) | 215.589 |
| MDL Number | MFCD00191921 |
| SMILES | CC(=O)C1=CC(=CC(=C1O)[N+](=O)[O-])Cl |
| Synonym | 5'-chloro-2'-hydroxy-3'-nitroacetophenone,1-5-chloro-2-hydroxy-3-nitrophenyl ethanone,2-acetyl-6-nitro-4-chlorophenol,2-acetyl-6-nitro-4-chloro phenol,2-acetyl-4-chloro-6-nitrophenol,5-chloro-3-nitro-2-hydroxyacetophenone,benzoic acid,5-chloro-2-hydroxy-3-nitro,ethanone, 1-5-chloro-2-hydroxy-3-nitrophenyl,1-acetyl-5-chloro-2-hydroxy-3-nitrobenzene,pubchem3355 |
| InChI Key | IUNBIQBAYUBIFD-UHFFFAOYSA-N |
| Molecular Formula | C8H6ClNO4 |
2-Amino-6-methoxybenzothiazole 98.0+%, TCI America™
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CAS: 1747-60-0 Molecular Formula: C8H8N2OS Molecular Weight (g/mol): 180.225 MDL Number: MFCD00005787 InChI Key: KZHGPDSVHSDCMX-UHFFFAOYSA-N Synonym: 2-amino-6-methoxybenzothiazole,6-methoxybenzo d thiazol-2-amine,2-benzothiazolamine, 6-methoxy,6-methoxy-2-aminobenzothiazole,2-amino-6-methoxy benzothiazole,benzothiazole, 2-amino-6-methoxy,6-methoxy-2-benzothiazolamine,6-methoxybenzothiazol-2-ylamine,unii-lat2842yvx,ccris 1393 PubChem CID: 15630 IUPAC Name: 6-methoxy-1,3-benzothiazol-2-amine SMILES: COC1=CC2=C(C=C1)N=C(S2)N
| PubChem CID | 15630 |
|---|---|
| CAS | 1747-60-0 |
| Molecular Weight (g/mol) | 180.225 |
| MDL Number | MFCD00005787 |
| SMILES | COC1=CC2=C(C=C1)N=C(S2)N |
| Synonym | 2-amino-6-methoxybenzothiazole,6-methoxybenzo d thiazol-2-amine,2-benzothiazolamine, 6-methoxy,6-methoxy-2-aminobenzothiazole,2-amino-6-methoxy benzothiazole,benzothiazole, 2-amino-6-methoxy,6-methoxy-2-benzothiazolamine,6-methoxybenzothiazol-2-ylamine,unii-lat2842yvx,ccris 1393 |
| IUPAC Name | 6-methoxy-1,3-benzothiazol-2-amine |
| InChI Key | KZHGPDSVHSDCMX-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2OS |
3'-Benzyloxyacetophenone 98.0+%, TCI America™
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CAS: 34068-01-4 Molecular Formula: C15H14O2 Molecular Weight (g/mol): 226.275 MDL Number: MFCD00026221 InChI Key: FGQMEAWGAUALJQ-UHFFFAOYSA-N Synonym: 1-3-benzyloxy phenyl ethanone,3-benzyloxyacetophenone,3'-benzyloxyacetophenone,1-3-benzyloxy phenyl ethan-1-one,1-3-phenylmethoxy phenyl ethan-1-one,3'-benzyloxy acetophenone,ethanone, 1-3-phenylmethoxy phenyl,1-acetyl-3-phenylmethoxy benzene PubChem CID: 98689 IUPAC Name: 1-(3-phenylmethoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2
| PubChem CID | 98689 |
|---|---|
| CAS | 34068-01-4 |
| Molecular Weight (g/mol) | 226.275 |
| MDL Number | MFCD00026221 |
| SMILES | CC(=O)C1=CC(=CC=C1)OCC2=CC=CC=C2 |
| Synonym | 1-3-benzyloxy phenyl ethanone,3-benzyloxyacetophenone,3'-benzyloxyacetophenone,1-3-benzyloxy phenyl ethan-1-one,1-3-phenylmethoxy phenyl ethan-1-one,3'-benzyloxy acetophenone,ethanone, 1-3-phenylmethoxy phenyl,1-acetyl-3-phenylmethoxy benzene |
| IUPAC Name | 1-(3-phenylmethoxyphenyl)ethanone |
| InChI Key | FGQMEAWGAUALJQ-UHFFFAOYSA-N |
| Molecular Formula | C15H14O2 |