Organooxygen compounds
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4-Chlorobutyraldehyde Dimethyl Acetal 97.0+%, TCI America™
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CAS: 29882-07-3 Molecular Formula: C6H13ClO2 Molecular Weight (g/mol): 152.618 MDL Number: MFCD01632883 InChI Key: LTLKJYMNUSSFAH-UHFFFAOYSA-N Synonym: 4-Chloro-1,1-dimethoxybutane PubChem CID: 122536 IUPAC Name: 4-chloro-1,1-dimethoxybutane SMILES: COC(CCCCl)OC
| PubChem CID | 122536 |
|---|---|
| CAS | 29882-07-3 |
| Molecular Weight (g/mol) | 152.618 |
| MDL Number | MFCD01632883 |
| SMILES | COC(CCCCl)OC |
| Synonym | 4-Chloro-1,1-dimethoxybutane |
| IUPAC Name | 4-chloro-1,1-dimethoxybutane |
| InChI Key | LTLKJYMNUSSFAH-UHFFFAOYSA-N |
| Molecular Formula | C6H13ClO2 |
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 |
DL-4-Hydroxy-3-methoxymandelic Acid 98.0+%, TCI America™
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CAS: 55-10-7 Molecular Formula: C9H9O5 Molecular Weight (g/mol): 197.17 MDL Number: MFCD00004235 InChI Key: CGQCWMIAEPEHNQ-QMMMGPOBSA-M Synonym: vanillylmandelic acid,vanilmandelic acid,dl-4-hydroxy-3-methoxymandelic acid,2-hydroxy-2-4-hydroxy-3-methoxyphenyl acetic acid,4-hydroxy-3-methoxymandelic acid,vanillomandelic acid,+/--vanillylmandelic acid,vma,alpha,4-dihydroxy-3-methoxybenzeneacetic acid,benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy PubChem CID: 1245 ChEBI: CHEBI:20106 IUPAC Name: (2S)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate SMILES: COC1=CC(=CC=C1O)[C@H](O)C([O-])=O
| PubChem CID | 1245 |
|---|---|
| CAS | 55-10-7 |
| Molecular Weight (g/mol) | 197.17 |
| ChEBI | CHEBI:20106 |
| MDL Number | MFCD00004235 |
| SMILES | COC1=CC(=CC=C1O)[C@H](O)C([O-])=O |
| Synonym | vanillylmandelic acid,vanilmandelic acid,dl-4-hydroxy-3-methoxymandelic acid,2-hydroxy-2-4-hydroxy-3-methoxyphenyl acetic acid,4-hydroxy-3-methoxymandelic acid,vanillomandelic acid,+/--vanillylmandelic acid,vma,alpha,4-dihydroxy-3-methoxybenzeneacetic acid,benzeneacetic acid, .alpha.,4-dihydroxy-3-methoxy |
| IUPAC Name | (2S)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate |
| InChI Key | CGQCWMIAEPEHNQ-QMMMGPOBSA-M |
| Molecular Formula | C9H9O5 |
4-Methoxyindole 98.0+%, TCI America™
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CAS: 4837-90-5 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 MDL Number: MFCD00009737 InChI Key: LUNOXNMCFPFPMO-UHFFFAOYSA-N Synonym: 4-methoxyindole,1h-indole, 4-methoxy,4-methoxylindole,1h-indol-4-yl methyl ether,indole, 4-methoxy,4-methoxy-indole,zlchem 710,pubchem7433,acmc-1aoxe PubChem CID: 138363 IUPAC Name: 4-methoxy-1H-indole SMILES: COC1=CC=CC2=C1C=CN2
| PubChem CID | 138363 |
|---|---|
| CAS | 4837-90-5 |
| Molecular Weight (g/mol) | 147.177 |
| MDL Number | MFCD00009737 |
| SMILES | COC1=CC=CC2=C1C=CN2 |
| Synonym | 4-methoxyindole,1h-indole, 4-methoxy,4-methoxylindole,1h-indol-4-yl methyl ether,indole, 4-methoxy,4-methoxy-indole,zlchem 710,pubchem7433,acmc-1aoxe |
| IUPAC Name | 4-methoxy-1H-indole |
| InChI Key | LUNOXNMCFPFPMO-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
Dronedarone Hydrochloride 98.0+%, TCI America™
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CAS: 141625-93-6 Molecular Formula: C31H45ClN2O5S Molecular Weight (g/mol): 593.22 MDL Number: MFCD00914940 InChI Key: DWKVCQXJYURSIQ-UHFFFAOYSA-N Synonym: N-[2-Butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-5-benzofuranyl]methanesulfonamide Hydrochloride PubChem CID: 219025 IUPAC Name: N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide;hydrochloride SMILES: CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC.Cl
| PubChem CID | 219025 |
|---|---|
| CAS | 141625-93-6 |
| Molecular Weight (g/mol) | 593.22 |
| MDL Number | MFCD00914940 |
| SMILES | CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC.Cl |
| Synonym | N-[2-Butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-5-benzofuranyl]methanesulfonamide Hydrochloride |
| IUPAC Name | N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide;hydrochloride |
| InChI Key | DWKVCQXJYURSIQ-UHFFFAOYSA-N |
| Molecular Formula | C31H45ClN2O5S |
Furoin 96.0+%, TCI America™
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CAS: 552-86-3 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00003246 InChI Key: MIJRFWVFNKQQDK-UHFFFAOYNA-N Synonym: furoin,2,2'-furoin,1,2-di furan-2-yl-2-hydroxyethanone,furoylfurylcarbinol,ethanone, 1,2-di-2-furanyl-2-hydroxy,alpha-furoin,.alpha.-furoin,ethanone, 1,2-di-2-furyl-2-hydroxy,1,2-bis furan-2-yl-2-hydroxyethan-1-one,1,2-di-2-furanyl-2-hydroxyethanone PubChem CID: 11100 IUPAC Name: 1,2-bis(furan-2-yl)-2-hydroxyethan-1-one SMILES: OC(C(=O)C1=CC=CO1)C1=CC=CO1
| PubChem CID | 11100 |
|---|---|
| CAS | 552-86-3 |
| Molecular Weight (g/mol) | 192.17 |
| MDL Number | MFCD00003246 |
| SMILES | OC(C(=O)C1=CC=CO1)C1=CC=CO1 |
| Synonym | furoin,2,2'-furoin,1,2-di furan-2-yl-2-hydroxyethanone,furoylfurylcarbinol,ethanone, 1,2-di-2-furanyl-2-hydroxy,alpha-furoin,.alpha.-furoin,ethanone, 1,2-di-2-furyl-2-hydroxy,1,2-bis furan-2-yl-2-hydroxyethan-1-one,1,2-di-2-furanyl-2-hydroxyethanone |
| IUPAC Name | 1,2-bis(furan-2-yl)-2-hydroxyethan-1-one |
| InChI Key | MIJRFWVFNKQQDK-UHFFFAOYNA-N |
| Molecular Formula | C10H8O4 |
Propioin 95.0+%, TCI America™
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CAS: 4984-85-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00043572 InChI Key: SKCYVGUCBRYGTE-UHFFFAOYSA-N Synonym: 4-Hydroxy-3-hexanone PubChem CID: 95609 ChEBI: CHEBI:18351 IUPAC Name: 4-hydroxyhexan-3-one SMILES: CCC(C(=O)CC)O
| PubChem CID | 95609 |
|---|---|
| CAS | 4984-85-4 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:18351 |
| MDL Number | MFCD00043572 |
| SMILES | CCC(C(=O)CC)O |
| Synonym | 4-Hydroxy-3-hexanone |
| IUPAC Name | 4-hydroxyhexan-3-one |
| InChI Key | SKCYVGUCBRYGTE-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Diethyl Butylmalonate 99.0+%, TCI America™
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CAS: 133-08-4 Molecular Formula: C11H20O4 Molecular Weight (g/mol): 216.28 MDL Number: MFCD00009170 InChI Key: RPNFNBGRHCUORR-UHFFFAOYSA-N Synonym: diethyl butylmalonate,diethyl n-butylmalonate,butylmalonic acid diethyl ester,diethyl 2-butylmalonate,ethyl butylmalonate,propanedioic acid, butyl-, diethyl ester,unii-cyy2q744wb,cyy2q744wb,n-butylmalonic acid diethyl ester,malonic acid, butyl-, diethyl ester PubChem CID: 67244 IUPAC Name: 1,3-diethyl 2-butylpropanedioate SMILES: CCCCC(C(=O)OCC)C(=O)OCC
| PubChem CID | 67244 |
|---|---|
| CAS | 133-08-4 |
| Molecular Weight (g/mol) | 216.28 |
| MDL Number | MFCD00009170 |
| SMILES | CCCCC(C(=O)OCC)C(=O)OCC |
| Synonym | diethyl butylmalonate,diethyl n-butylmalonate,butylmalonic acid diethyl ester,diethyl 2-butylmalonate,ethyl butylmalonate,propanedioic acid, butyl-, diethyl ester,unii-cyy2q744wb,cyy2q744wb,n-butylmalonic acid diethyl ester,malonic acid, butyl-, diethyl ester |
| IUPAC Name | 1,3-diethyl 2-butylpropanedioate |
| InChI Key | RPNFNBGRHCUORR-UHFFFAOYSA-N |
| Molecular Formula | C11H20O4 |
1,2-Propanediol 99.0+%, TCI America™
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CAS: 57-55-6 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.095 MDL Number: MFCD00064272 InChI Key: DNIAPMSPPWPWGF-UHFFFAOYSA-N Synonym: 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost PubChem CID: 1030 ChEBI: CHEBI:16997 IUPAC Name: propane-1,2-diol SMILES: CC(CO)O
| PubChem CID | 1030 |
|---|---|
| CAS | 57-55-6 |
| Molecular Weight (g/mol) | 76.095 |
| ChEBI | CHEBI:16997 |
| MDL Number | MFCD00064272 |
| SMILES | CC(CO)O |
| Synonym | 1,2-propanediol,propylene glycol,1,2-dihydroxypropane,2-hydroxypropanol,1,2-propylene glycol,methylethyl glycol,methylethylene glycol,monopropylene glycol,isopropylene glycol,dowfrost |
| IUPAC Name | propane-1,2-diol |
| InChI Key | DNIAPMSPPWPWGF-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |
Isobutyrophenone 98.0+%, TCI America™
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CAS: 611-70-1 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00008917 InChI Key: BSMGLVDZZMBWQB-UHFFFAOYSA-N Synonym: isobutyrophenone,isopropyl phenyl ketone,2-methylpropiophenone,1-propanone, 2-methyl-1-phenyl,phenyl isopropyl ketone,isopropyl phenyl keton,alpha-methylpropiophenone,unii-8l53972ntz,.alpha.-methylpropiophenone,2-methyl-1-phenyl-1-propanone PubChem CID: 69144 IUPAC Name: 2-methyl-1-phenylpropan-1-one SMILES: CC(C)C(=O)C1=CC=CC=C1
| PubChem CID | 69144 |
|---|---|
| CAS | 611-70-1 |
| Molecular Weight (g/mol) | 148.21 |
| MDL Number | MFCD00008917 |
| SMILES | CC(C)C(=O)C1=CC=CC=C1 |
| Synonym | isobutyrophenone,isopropyl phenyl ketone,2-methylpropiophenone,1-propanone, 2-methyl-1-phenyl,phenyl isopropyl ketone,isopropyl phenyl keton,alpha-methylpropiophenone,unii-8l53972ntz,.alpha.-methylpropiophenone,2-methyl-1-phenyl-1-propanone |
| IUPAC Name | 2-methyl-1-phenylpropan-1-one |
| InChI Key | BSMGLVDZZMBWQB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
Triethyl Orthopropionate 96.0+%, TCI America™
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CAS: 115-80-0 Molecular Formula: C9H20O3 Molecular Weight (g/mol): 176.26 MDL Number: MFCD00009226 InChI Key: FGWYWKIOMUZSQF-UHFFFAOYSA-N Synonym: triethyl orthopropionate,ethyl orthopropionate,propane, 1,1,1-triethoxy,triethylorthopropionate,triethyl o-propionate,orthopropionic acid ethyl ester,orthopropionic acid, triethyl ester,unii-9uvm48bas9,9uvm48bas9,1,1,1-triethoxypropan PubChem CID: 66995 IUPAC Name: 1,1,1-triethoxypropane SMILES: CCOC(CC)(OCC)OCC
| PubChem CID | 66995 |
|---|---|
| CAS | 115-80-0 |
| Molecular Weight (g/mol) | 176.26 |
| MDL Number | MFCD00009226 |
| SMILES | CCOC(CC)(OCC)OCC |
| Synonym | triethyl orthopropionate,ethyl orthopropionate,propane, 1,1,1-triethoxy,triethylorthopropionate,triethyl o-propionate,orthopropionic acid ethyl ester,orthopropionic acid, triethyl ester,unii-9uvm48bas9,9uvm48bas9,1,1,1-triethoxypropan |
| IUPAC Name | 1,1,1-triethoxypropane |
| InChI Key | FGWYWKIOMUZSQF-UHFFFAOYSA-N |
| Molecular Formula | C9H20O3 |
3-Isopropoxypropylamine 98.0+%, TCI America™
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CAS: 2906-12-9 Molecular Formula: C6H15NO Molecular Weight (g/mol): 117.19 MDL Number: MFCD00008220 InChI Key: VHYUNSUGCNKWSO-UHFFFAOYSA-N Synonym: 3-isopropoxypropylamine,3-isopropoxy-1-propylamine,isopropoxypropylamine,1-propanamine, 3-1-methylethoxy,3-aminopropyl isopropyl ether,3-1-methylethoxy-1-propanamine,3-isopropoxy-n-propylamine,3-isopropoxypropan-1-amine,propylamine, 3-isopropoxy,3-propan-2-yloxy propan-1-amine PubChem CID: 76194 IUPAC Name: 3-propan-2-yloxypropan-1-amine SMILES: CC(C)OCCCN
| PubChem CID | 76194 |
|---|---|
| CAS | 2906-12-9 |
| Molecular Weight (g/mol) | 117.19 |
| MDL Number | MFCD00008220 |
| SMILES | CC(C)OCCCN |
| Synonym | 3-isopropoxypropylamine,3-isopropoxy-1-propylamine,isopropoxypropylamine,1-propanamine, 3-1-methylethoxy,3-aminopropyl isopropyl ether,3-1-methylethoxy-1-propanamine,3-isopropoxy-n-propylamine,3-isopropoxypropan-1-amine,propylamine, 3-isopropoxy,3-propan-2-yloxy propan-1-amine |
| IUPAC Name | 3-propan-2-yloxypropan-1-amine |
| InChI Key | VHYUNSUGCNKWSO-UHFFFAOYSA-N |
| Molecular Formula | C6H15NO |
1,6-Diphenyl-1,6-hexanedione 98.0+%, TCI America™
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CAS: 3375-38-0 Molecular Formula: C18H18O2 Molecular Weight (g/mol): 266.34 MDL Number: MFCD00004761 InChI Key: VRBLNWVVFVBNRK-UHFFFAOYSA-N Synonym: 1,4-Dibenzoylbutane PubChem CID: 76903 IUPAC Name: 1,6-diphenylhexane-1,6-dione SMILES: C1=CC=C(C=C1)C(=O)CCCCC(=O)C2=CC=CC=C2
| PubChem CID | 76903 |
|---|---|
| CAS | 3375-38-0 |
| Molecular Weight (g/mol) | 266.34 |
| MDL Number | MFCD00004761 |
| SMILES | C1=CC=C(C=C1)C(=O)CCCCC(=O)C2=CC=CC=C2 |
| Synonym | 1,4-Dibenzoylbutane |
| IUPAC Name | 1,6-diphenylhexane-1,6-dione |
| InChI Key | VRBLNWVVFVBNRK-UHFFFAOYSA-N |
| Molecular Formula | C18H18O2 |
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 |
3-Dimethylamino-2-methyl-2-propenal 97.0+%, TCI America™
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CAS: 19125-76-9 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00075471 InChI Key: JGAMOQYFDMQPRJ-XQRVVYSFSA-N Synonym: z-3-dimethylamino-2-methylacrylaldehyde,2z-3-dimethylamino-2-methylacrylaldehyde,2z-3-dimethylamino-2-methylprop-2-enal,z-3-dimethylamino-2-methylprop-2-enal,2-propenal, 3-dimethylamino-2-methyl-, z,2-propenal, 3-dimethylamino-2-methyl-, 2z PubChem CID: 5919306 IUPAC Name: (Z)-3-(dimethylamino)-2-methylprop-2-enal SMILES: CC(=CN(C)C)C=O
| PubChem CID | 5919306 |
|---|---|
| CAS | 19125-76-9 |
| Molecular Weight (g/mol) | 113.16 |
| MDL Number | MFCD00075471 |
| SMILES | CC(=CN(C)C)C=O |
| Synonym | z-3-dimethylamino-2-methylacrylaldehyde,2z-3-dimethylamino-2-methylacrylaldehyde,2z-3-dimethylamino-2-methylprop-2-enal,z-3-dimethylamino-2-methylprop-2-enal,2-propenal, 3-dimethylamino-2-methyl-, z,2-propenal, 3-dimethylamino-2-methyl-, 2z |
| IUPAC Name | (Z)-3-(dimethylamino)-2-methylprop-2-enal |
| InChI Key | JGAMOQYFDMQPRJ-XQRVVYSFSA-N |
| Molecular Formula | C6H11NO |