Organooxygen compounds
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1-Pentadecanol 95.0+%, TCI America™
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CAS: 629-76-5 Molecular Formula: C15H32O Molecular Weight (g/mol): 228.42 MDL Number: MFCD00004759 InChI Key: REIUXOLGHVXAEO-UHFFFAOYSA-N Synonym: 1-pentadecanol,pentadecyl alcohol,pentadecanol,n-pentadecanol,n-1-pentadecanol,neodol 5,unii-333qva4g2q,dsstox_cid_7270,dsstox_rid_78381,dsstox_gsid_27270 PubChem CID: 12397 ChEBI: CHEBI:77468 IUPAC Name: pentadecan-1-ol SMILES: CCCCCCCCCCCCCCCO
| PubChem CID | 12397 |
|---|---|
| CAS | 629-76-5 |
| Molecular Weight (g/mol) | 228.42 |
| ChEBI | CHEBI:77468 |
| MDL Number | MFCD00004759 |
| SMILES | CCCCCCCCCCCCCCCO |
| Synonym | 1-pentadecanol,pentadecyl alcohol,pentadecanol,n-pentadecanol,n-1-pentadecanol,neodol 5,unii-333qva4g2q,dsstox_cid_7270,dsstox_rid_78381,dsstox_gsid_27270 |
| IUPAC Name | pentadecan-1-ol |
| InChI Key | REIUXOLGHVXAEO-UHFFFAOYSA-N |
| Molecular Formula | C15H32O |
3-Phenylpropionaldehyde 93.0+%, TCI America™
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CAS: 104-53-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00007021 InChI Key: YGCZTXZTJXYWCO-UHFFFAOYSA-N Synonym: benzenepropanal,3-phenylpropionaldehyde,hydrocinnamaldehyde,hydrocinnamic aldehyde,dihydrocinnamaldehyde,benzylacetaldehyde,3-phenyl-1-propanal,3-phenylpropylaldehyde,3-phenylpropyl aldehyde,propanal, phenyl PubChem CID: 7707 IUPAC Name: 3-phenylpropanal SMILES: C1=CC=C(C=C1)CCC=O
| PubChem CID | 7707 |
|---|---|
| CAS | 104-53-0 |
| Molecular Weight (g/mol) | 134.178 |
| MDL Number | MFCD00007021 |
| SMILES | C1=CC=C(C=C1)CCC=O |
| Synonym | benzenepropanal,3-phenylpropionaldehyde,hydrocinnamaldehyde,hydrocinnamic aldehyde,dihydrocinnamaldehyde,benzylacetaldehyde,3-phenyl-1-propanal,3-phenylpropylaldehyde,3-phenylpropyl aldehyde,propanal, phenyl |
| IUPAC Name | 3-phenylpropanal |
| InChI Key | YGCZTXZTJXYWCO-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
Valeraldehyde 95.0+%, TCI America™
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CAS: 110-62-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00007026 InChI Key: HGBOYTHUEUWSSQ-UHFFFAOYSA-N Synonym: valeraldehyde,n-pentanal,n-valeraldehyde,valeric aldehyde,valeral,valeryl aldehyde,amylaldehyde,butyl formal,amyl aldehyde,valeric acid aldehyde PubChem CID: 8063 ChEBI: CHEBI:84069 IUPAC Name: pentanal SMILES: CCCCC=O
| PubChem CID | 8063 |
|---|---|
| CAS | 110-62-3 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:84069 |
| MDL Number | MFCD00007026 |
| SMILES | CCCCC=O |
| Synonym | valeraldehyde,n-pentanal,n-valeraldehyde,valeric aldehyde,valeral,valeryl aldehyde,amylaldehyde,butyl formal,amyl aldehyde,valeric acid aldehyde |
| IUPAC Name | pentanal |
| InChI Key | HGBOYTHUEUWSSQ-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
Methyl trans-4-Hydroxycyclohexanecarboxylate 98.0+%, TCI America™
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CAS: 6125-57-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.20 MDL Number: MFCD00729087,MFCD20441962,MFCD20441963 InChI Key: HYDYVXROZHFTGB-UHFFFAOYSA-N Synonym: trans-4-Hydroxycyclohexanecarboxylic Acid Methyl Ester PubChem CID: 87117 IUPAC Name: methyl 4-hydroxycyclohexane-1-carboxylate SMILES: COC(=O)C1CCC(O)CC1
| PubChem CID | 87117 |
|---|---|
| CAS | 6125-57-1 |
| Molecular Weight (g/mol) | 158.20 |
| MDL Number | MFCD00729087,MFCD20441962,MFCD20441963 |
| SMILES | COC(=O)C1CCC(O)CC1 |
| Synonym | trans-4-Hydroxycyclohexanecarboxylic Acid Methyl Ester |
| IUPAC Name | methyl 4-hydroxycyclohexane-1-carboxylate |
| InChI Key | HYDYVXROZHFTGB-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
Isovanillin 98.0+%, TCI America™
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CAS: 621-59-0 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00003369 InChI Key: JVTZFYYHCGSXJV-UHFFFAOYSA-N Synonym: isovanillin,isovanilline,3-hydroxy-p-anisaldehyde,5-formylguaiacol,benzaldehyde, 3-hydroxy-4-methoxy,iso-vanillin,3-hydroxyanisaldehyde,isovanilin,isovanicaline,3-hydroxy-4-methoxy-benzaldehyde PubChem CID: 12127 IUPAC Name: 3-hydroxy-4-methoxybenzaldehyde SMILES: COC1=C(C=C(C=C1)C=O)O
| PubChem CID | 12127 |
|---|---|
| CAS | 621-59-0 |
| Molecular Weight (g/mol) | 152.149 |
| MDL Number | MFCD00003369 |
| SMILES | COC1=C(C=C(C=C1)C=O)O |
| Synonym | isovanillin,isovanilline,3-hydroxy-p-anisaldehyde,5-formylguaiacol,benzaldehyde, 3-hydroxy-4-methoxy,iso-vanillin,3-hydroxyanisaldehyde,isovanilin,isovanicaline,3-hydroxy-4-methoxy-benzaldehyde |
| IUPAC Name | 3-hydroxy-4-methoxybenzaldehyde |
| InChI Key | JVTZFYYHCGSXJV-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
2-Chloro-4,6-dimethoxypyrimidine 98.0+%, TCI America™
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CAS: 13223-25-1 Molecular Formula: C6H7ClN2O2 Molecular Weight (g/mol): 174.584 MDL Number: MFCD00274530 InChI Key: PBEKEFWBLFBSGQ-UHFFFAOYSA-N PubChem CID: 5152323 IUPAC Name: 2-chloro-4,6-dimethoxypyrimidine SMILES: COC1=CC(=NC(=N1)Cl)OC
| PubChem CID | 5152323 |
|---|---|
| CAS | 13223-25-1 |
| Molecular Weight (g/mol) | 174.584 |
| MDL Number | MFCD00274530 |
| SMILES | COC1=CC(=NC(=N1)Cl)OC |
| IUPAC Name | 2-chloro-4,6-dimethoxypyrimidine |
| InChI Key | PBEKEFWBLFBSGQ-UHFFFAOYSA-N |
| Molecular Formula | C6H7ClN2O2 |
5'-Fluoro-2'-hydroxyacetophenone 98.0+%, TCI America™
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CAS: 394-32-1 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00011668 InChI Key: KOFFXZYMDLWRHX-UHFFFAOYSA-N Synonym: 5'-fluoro-2'-hydroxyacetophenone,1-5-fluoro-2-hydroxyphenyl ethanone,1-5-fluoro-2-hydroxyphenyl ethan-1-one,5-fluoro-2-hydroxyacetophenone,1-5-fluoro-2-hydroxyphenyl-1-ethanone,2-hydroxy-5-fluoroacetophenone,2'-hydroxy-5'-fluoroacetophenone,ethanone, 1-5-fluoro-2-hydroxyphenyl,5'-fluoro-2'-hydroxy acetophenone,5'-fluoro-2'-hydroxy-acetophenone PubChem CID: 95992 IUPAC Name: 1-(5-fluoro-2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=C(C=CC(=C1)F)O
| PubChem CID | 95992 |
|---|---|
| CAS | 394-32-1 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00011668 |
| SMILES | CC(=O)C1=C(C=CC(=C1)F)O |
| Synonym | 5'-fluoro-2'-hydroxyacetophenone,1-5-fluoro-2-hydroxyphenyl ethanone,1-5-fluoro-2-hydroxyphenyl ethan-1-one,5-fluoro-2-hydroxyacetophenone,1-5-fluoro-2-hydroxyphenyl-1-ethanone,2-hydroxy-5-fluoroacetophenone,2'-hydroxy-5'-fluoroacetophenone,ethanone, 1-5-fluoro-2-hydroxyphenyl,5'-fluoro-2'-hydroxy acetophenone,5'-fluoro-2'-hydroxy-acetophenone |
| IUPAC Name | 1-(5-fluoro-2-hydroxyphenyl)ethanone |
| InChI Key | KOFFXZYMDLWRHX-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
Bis(2,4-pentanedionato)palladium(II) 98.0+%, TCI America™
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CAS: 14024-61-4 Molecular Formula: C10H14O4Pd Molecular Weight (g/mol): 304.64 MDL Number: MFCD00000025 MFCD00000025 InChI Key: JKDRQYIYVJVOPF-FDGPNNRMSA-L Synonym: palladium diacetonate,acetylacetone palladium ii salt,bis 2,4-pentanedionato palladium ii PubChem CID: 53384484 IUPAC Name: palladium(2+) bis((2Z)-4-oxopent-2-en-2-olate) SMILES: [Pd++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
| PubChem CID | 53384484 |
|---|---|
| CAS | 14024-61-4 |
| Molecular Weight (g/mol) | 304.64 |
| MDL Number | MFCD00000025 MFCD00000025 |
| SMILES | [Pd++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O |
| Synonym | palladium diacetonate,acetylacetone palladium ii salt,bis 2,4-pentanedionato palladium ii |
| IUPAC Name | palladium(2+) bis((2Z)-4-oxopent-2-en-2-olate) |
| InChI Key | JKDRQYIYVJVOPF-FDGPNNRMSA-L |
| Molecular Formula | C10H14O4Pd |
Crotyl Alcohol (cis- and trans- mixture) 95.0+%, TCI America™
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CAS: 6117-91-5 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.107 MDL Number: MFCD00002923 InChI Key: WCASXYBKJHWFMY-IHWYPQMZSA-N Synonym: z-but-2-en-1-ol,z-2-buten-1-ol,2-buten-1-ol, 2z,cis-2-buten-1-ol,crotonyl alcohol,unii-w6ggs58t62,cis-crotyl alcohol,2z-but-2-en-1-ol,2-buten-1-ol, z,2-buten-1-ol PubChem CID: 643789 IUPAC Name: (Z)-but-2-en-1-ol SMILES: CC=CCO
| PubChem CID | 643789 |
|---|---|
| CAS | 6117-91-5 |
| Molecular Weight (g/mol) | 72.107 |
| MDL Number | MFCD00002923 |
| SMILES | CC=CCO |
| Synonym | z-but-2-en-1-ol,z-2-buten-1-ol,2-buten-1-ol, 2z,cis-2-buten-1-ol,crotonyl alcohol,unii-w6ggs58t62,cis-crotyl alcohol,2z-but-2-en-1-ol,2-buten-1-ol, z,2-buten-1-ol |
| IUPAC Name | (Z)-but-2-en-1-ol |
| InChI Key | WCASXYBKJHWFMY-IHWYPQMZSA-N |
| Molecular Formula | C4H8O |
2-Bromo-4'-methylacetophenone 98.0+%, TCI America™
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CAS: 619-41-0 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.074 MDL Number: MFCD00000203 InChI Key: KRVGXFREOJHJAX-UHFFFAOYSA-N Synonym: 2-bromo-4'-methylacetophenone,2-bromo-1-p-tolyl ethanone,4-methylphenacyl bromide,2-bromo-1-4-methylphenyl ethanone,2-bromo-1-p-tolylethanone,2-bromo-4-methylacetophenone,2-bromo-1-4-methylphenyl ethan-1-one,acetophenone, 2-bromo-4'-methyl,ethanone, 2-bromo-1-4-methylphenyl,p-methylphenacyl bromide PubChem CID: 69272 IUPAC Name: 2-bromo-1-(4-methylphenyl)ethanone SMILES: CC1=CC=C(C=C1)C(=O)CBr
| PubChem CID | 69272 |
|---|---|
| CAS | 619-41-0 |
| Molecular Weight (g/mol) | 213.074 |
| MDL Number | MFCD00000203 |
| SMILES | CC1=CC=C(C=C1)C(=O)CBr |
| Synonym | 2-bromo-4'-methylacetophenone,2-bromo-1-p-tolyl ethanone,4-methylphenacyl bromide,2-bromo-1-4-methylphenyl ethanone,2-bromo-1-p-tolylethanone,2-bromo-4-methylacetophenone,2-bromo-1-4-methylphenyl ethan-1-one,acetophenone, 2-bromo-4'-methyl,ethanone, 2-bromo-1-4-methylphenyl,p-methylphenacyl bromide |
| IUPAC Name | 2-bromo-1-(4-methylphenyl)ethanone |
| InChI Key | KRVGXFREOJHJAX-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO |
2-Pentyn-1-ol 98.0+%, TCI America™
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CAS: 6261-22-9 Molecular Formula: C5H8O Molecular Weight (g/mol): 84.118 MDL Number: MFCD00040915 InChI Key: WLPYSOCRPHTIDZ-UHFFFAOYSA-N Synonym: 2-pentyn-1-ol,2-pentyne-1-ol,2-pentynol,zlchem 1280,pubchem13063,acmc-209n5w,ksc357i0r,2-pentyn-1-01 PubChem CID: 80421 IUPAC Name: pent-2-yn-1-ol SMILES: CCC#CCO
| PubChem CID | 80421 |
|---|---|
| CAS | 6261-22-9 |
| Molecular Weight (g/mol) | 84.118 |
| MDL Number | MFCD00040915 |
| SMILES | CCC#CCO |
| Synonym | 2-pentyn-1-ol,2-pentyne-1-ol,2-pentynol,zlchem 1280,pubchem13063,acmc-209n5w,ksc357i0r,2-pentyn-1-01 |
| IUPAC Name | pent-2-yn-1-ol |
| InChI Key | WLPYSOCRPHTIDZ-UHFFFAOYSA-N |
| Molecular Formula | C5H8O |
2,5,8,11,14-Pentaoxaheptadec-16-yne 98.0+%, TCI America™
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CAS: 1101668-39-6 Molecular Formula: C12H22O5 Molecular Weight (g/mol): 246.30 MDL Number: MFCD28155212 InChI Key: QOXHTXZSGABRDF-UHFFFAOYSA-N Synonym: mPEG4-Alkyne PubChem CID: 86291528 IUPAC Name: 2,5,8,11,14-pentaoxaheptadec-16-yne SMILES: COCCOCCOCCOCCOCC#C
| PubChem CID | 86291528 |
|---|---|
| CAS | 1101668-39-6 |
| Molecular Weight (g/mol) | 246.30 |
| MDL Number | MFCD28155212 |
| SMILES | COCCOCCOCCOCCOCC#C |
| Synonym | mPEG4-Alkyne |
| IUPAC Name | 2,5,8,11,14-pentaoxaheptadec-16-yne |
| InChI Key | QOXHTXZSGABRDF-UHFFFAOYSA-N |
| Molecular Formula | C12H22O5 |
2-Mercapto-5-methoxybenzothiazole 98.0+%, TCI America™
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CAS: 55690-60-3 Molecular Formula: C8H7NOS2 Molecular Weight (g/mol): 197.27 MDL Number: MFCD00185941 InChI Key: JDPITNFDYXOKRM-UHFFFAOYSA-N Synonym: 5-methoxybenzo d thiazole-2-thiol,2-mercapto-5-methoxybenzothiazole,5-methoxybenzothiazole-2-thiol,5-methoxy-1,3-benzothiazole-2-thiol,5-methoxybenzothiazole-2 3h-thione,5-methoxy-2-benzothiazolethiol,5-methoxy-2-mercaptobenzothiazole,2-mercapto-5-methoxy-benzothiazole,acmc-209loj,2-mercapto5-methoxybenzothiazole PubChem CID: 2830679 IUPAC Name: 5-methoxy-2,3-dihydro-1,3-benzothiazole-2-thione SMILES: COC1=CC=C2SC(=S)NC2=C1
| PubChem CID | 2830679 |
|---|---|
| CAS | 55690-60-3 |
| Molecular Weight (g/mol) | 197.27 |
| MDL Number | MFCD00185941 |
| SMILES | COC1=CC=C2SC(=S)NC2=C1 |
| Synonym | 5-methoxybenzo d thiazole-2-thiol,2-mercapto-5-methoxybenzothiazole,5-methoxybenzothiazole-2-thiol,5-methoxy-1,3-benzothiazole-2-thiol,5-methoxybenzothiazole-2 3h-thione,5-methoxy-2-benzothiazolethiol,5-methoxy-2-mercaptobenzothiazole,2-mercapto-5-methoxy-benzothiazole,acmc-209loj,2-mercapto5-methoxybenzothiazole |
| IUPAC Name | 5-methoxy-2,3-dihydro-1,3-benzothiazole-2-thione |
| InChI Key | JDPITNFDYXOKRM-UHFFFAOYSA-N |
| Molecular Formula | C8H7NOS2 |
3'-Hydroxyacetophenone 98.0+%, TCI America™
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CAS: 121-71-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002298 InChI Key: LUJMEECXHPYQOF-UHFFFAOYSA-N Synonym: 3'-hydroxyacetophenone,3-hydroxyacetophenone,1-3-hydroxyphenyl ethanone,m-hydroxyacetophenone,3-acetylphenol,1-3-hydroxyphenyl ethan-1-one,ethanone, 1-3-hydroxyphenyl,m-acetylphenol,3-hydroxy acetophenone,3-acetophenol PubChem CID: 8487 IUPAC Name: 1-(3-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)O
| PubChem CID | 8487 |
|---|---|
| CAS | 121-71-1 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00002298 |
| SMILES | CC(=O)C1=CC(=CC=C1)O |
| Synonym | 3'-hydroxyacetophenone,3-hydroxyacetophenone,1-3-hydroxyphenyl ethanone,m-hydroxyacetophenone,3-acetylphenol,1-3-hydroxyphenyl ethan-1-one,ethanone, 1-3-hydroxyphenyl,m-acetylphenol,3-hydroxy acetophenone,3-acetophenol |
| IUPAC Name | 1-(3-hydroxyphenyl)ethanone |
| InChI Key | LUJMEECXHPYQOF-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
3-Acetyl-2,4-dimethylpyrrole 98.0+%, TCI America™
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CAS: 2386-25-6 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00005221 InChI Key: VGZCKCJMYREIKA-UHFFFAOYSA-N Synonym: 3-acetyl-2,4-dimethylpyrrole,2,4-dimethyl-3-acetylpyrrole,1-2,4-dimethyl-1h-pyrrol-3-yl ethanone,2,4-dimethylpyrrol-3-yl methyl ketone,ethanone, 1-2,4-dimethyl-1h-pyrrol-3-yl,ketone, 2,4-dimethylpyrrol-3-yl methyl,1-2,4-dimethyl-1h-pyrrol-3-yl ethan-1-one,2,4-dimethyl-3-acetyl-pyrrole,3-acetyl-2,5-dimethyl-pyrrole,1-2,4-dimethyl-1h-pyrrol-3-yl-ethanone PubChem CID: 15163 IUPAC Name: 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone SMILES: CC1=CNC(=C1C(=O)C)C
| PubChem CID | 15163 |
|---|---|
| CAS | 2386-25-6 |
| Molecular Weight (g/mol) | 137.182 |
| MDL Number | MFCD00005221 |
| SMILES | CC1=CNC(=C1C(=O)C)C |
| Synonym | 3-acetyl-2,4-dimethylpyrrole,2,4-dimethyl-3-acetylpyrrole,1-2,4-dimethyl-1h-pyrrol-3-yl ethanone,2,4-dimethylpyrrol-3-yl methyl ketone,ethanone, 1-2,4-dimethyl-1h-pyrrol-3-yl,ketone, 2,4-dimethylpyrrol-3-yl methyl,1-2,4-dimethyl-1h-pyrrol-3-yl ethan-1-one,2,4-dimethyl-3-acetyl-pyrrole,3-acetyl-2,5-dimethyl-pyrrole,1-2,4-dimethyl-1h-pyrrol-3-yl-ethanone |
| IUPAC Name | 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone |
| InChI Key | VGZCKCJMYREIKA-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |