Organooxygen compounds
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4-Hydroxy-3-methyl-2-butanone, tech 85%
CAS: 3393-64-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00004739 InChI Key: VVSRECWZBBJOTG-UHFFFAOYSA-N Synonym: 4-hydroxy-3-methyl-2-butanone,2-butanone, 4-hydroxy-3-methyl,3-hydroxymethyl-2-butanone,2-butanone, 4-hydroxy-3-methyl-, +,acmc-1cngd,3-methyl-4-hydroxy-2-butanone,vvsrecwzbbjotg-uhfffaoysa,2-butanone,4-hydroxy-3-methyl,4-hydroxy-3-methyl-2-butanone, technical grade PubChem CID: 18829 IUPAC Name: 4-hydroxy-3-methylbutan-2-one SMILES: CC(CO)C(=O)C
| PubChem CID | 18829 |
|---|---|
| CAS | 3393-64-4 |
| Molecular Weight (g/mol) | 102.133 |
| MDL Number | MFCD00004739 |
| SMILES | CC(CO)C(=O)C |
| Synonym | 4-hydroxy-3-methyl-2-butanone,2-butanone, 4-hydroxy-3-methyl,3-hydroxymethyl-2-butanone,2-butanone, 4-hydroxy-3-methyl-, +,acmc-1cngd,3-methyl-4-hydroxy-2-butanone,vvsrecwzbbjotg-uhfffaoysa,2-butanone,4-hydroxy-3-methyl,4-hydroxy-3-methyl-2-butanone, technical grade |
| IUPAC Name | 4-hydroxy-3-methylbutan-2-one |
| InChI Key | VVSRECWZBBJOTG-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
Riboflavin USP Grade, MP Biomedicals™
CAS: 83-88-5 Molecular Formula: C17H20N4O6 Molecular Weight (g/mol): 376.37 MDL Number: MFCD00005022 InChI Key: AUNGANRZJHBGPY-QTZZOOGMNA-N Synonym: Vitamin B2,Lactoflavin,Vitaming,7,8-Dimethyl-10- (D-ribo-2,3,4,5- tetrahydroxypentyl) isoalloxazine IUPAC Name: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione SMILES: CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1
| CAS | 83-88-5 |
|---|---|
| Molecular Weight (g/mol) | 376.37 |
| MDL Number | MFCD00005022 |
| SMILES | CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1 |
| Synonym | Vitamin B2,Lactoflavin,Vitaming,7,8-Dimethyl-10- (D-ribo-2,3,4,5- tetrahydroxypentyl) isoalloxazine |
| IUPAC Name | 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione |
| InChI Key | AUNGANRZJHBGPY-QTZZOOGMNA-N |
| Molecular Formula | C17H20N4O6 |
2-Bromo-2',4'-dimethoxyacetophenone, 98%
CAS: 60965-26-6 Molecular Formula: C10H11BrO3 Molecular Weight (g/mol): 259.09 MDL Number: MFCD00000197 InChI Key: PKVBZABQCCQHLD-UHFFFAOYSA-N Synonym: 2-bromo-1-2,4-dimethoxyphenyl ethanone,2-bromo-2',4'-dimethoxyacetophenone,2,4-dimethoxyphenacyl bromide,2-bromo-1-2',4'-dimethoxyphenyl ethanone,2-bromo-1-2,4-dimethoxyphenyl ethan-1-one,ethanone, 2-bromo-1-2,4-dimethoxyphenyl,2-bromo-2',4'-dimethoxyacetopheneone,1-2,4-dimethoxyphenyl-2-bromoethan-1-one,pubchem13433,acmc-1ba4l PubChem CID: 98683 IUPAC Name: 2-bromo-1-(2,4-dimethoxyphenyl)ethanone SMILES: COC1=CC(=C(C=C1)C(=O)CBr)OC
| PubChem CID | 98683 |
|---|---|
| CAS | 60965-26-6 |
| Molecular Weight (g/mol) | 259.09 |
| MDL Number | MFCD00000197 |
| SMILES | COC1=CC(=C(C=C1)C(=O)CBr)OC |
| Synonym | 2-bromo-1-2,4-dimethoxyphenyl ethanone,2-bromo-2',4'-dimethoxyacetophenone,2,4-dimethoxyphenacyl bromide,2-bromo-1-2',4'-dimethoxyphenyl ethanone,2-bromo-1-2,4-dimethoxyphenyl ethan-1-one,ethanone, 2-bromo-1-2,4-dimethoxyphenyl,2-bromo-2',4'-dimethoxyacetopheneone,1-2,4-dimethoxyphenyl-2-bromoethan-1-one,pubchem13433,acmc-1ba4l |
| IUPAC Name | 2-bromo-1-(2,4-dimethoxyphenyl)ethanone |
| InChI Key | PKVBZABQCCQHLD-UHFFFAOYSA-N |
| Molecular Formula | C10H11BrO3 |
3-(3-Methyl-1,2,4-oxadiazol-5-yl)benzaldehyde, 97%, Thermo Scientific™
CAS: 273727-50-7 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.19 MDL Number: MFCD09817468 InChI Key: YUNJEYQSCYYAEF-UHFFFAOYSA-N Synonym: 3-3-methyl-1,2,4-oxadiazol-5-yl benzaldehyde,benzaldehyde,3-3-methyl-1,2,4-oxadiazol-5-yl,3-3-methyl-1,2,4 oxadiazol-5-yl-benzaldehyde PubChem CID: 18545510 IUPAC Name: 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde SMILES: CC1=NOC(=N1)C1=CC(C=O)=CC=C1
| PubChem CID | 18545510 |
|---|---|
| CAS | 273727-50-7 |
| Molecular Weight (g/mol) | 188.19 |
| MDL Number | MFCD09817468 |
| SMILES | CC1=NOC(=N1)C1=CC(C=O)=CC=C1 |
| Synonym | 3-3-methyl-1,2,4-oxadiazol-5-yl benzaldehyde,benzaldehyde,3-3-methyl-1,2,4-oxadiazol-5-yl,3-3-methyl-1,2,4 oxadiazol-5-yl-benzaldehyde |
| IUPAC Name | 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzaldehyde |
| InChI Key | YUNJEYQSCYYAEF-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O2 |
2-Benzothiazolemethanol, 97%
CAS: 37859-42-0 Molecular Formula: C8H7NOS Molecular Weight (g/mol): 165.21 MDL Number: MFCD00226293 InChI Key: PQXMQZYDBQBWNL-UHFFFAOYSA-N Synonym: benzo d thiazol-2-ylmethanol,2-benzothiazolemethanol,2-hydroxymethylbenzothiazole,1,3-benzothiazol-2-yl-methanol,benzothiazol-2-ylmethan-1-ol,zlchem 107,pubchem14535,benzothiazol-2-yl-methanol,chembl71700,1,3-benzothiazol-2-yl methanol PubChem CID: 268122 IUPAC Name: 1,3-benzothiazol-2-ylmethanol SMILES: OCC1=NC2=CC=CC=C2S1
| PubChem CID | 268122 |
|---|---|
| CAS | 37859-42-0 |
| Molecular Weight (g/mol) | 165.21 |
| MDL Number | MFCD00226293 |
| SMILES | OCC1=NC2=CC=CC=C2S1 |
| Synonym | benzo d thiazol-2-ylmethanol,2-benzothiazolemethanol,2-hydroxymethylbenzothiazole,1,3-benzothiazol-2-yl-methanol,benzothiazol-2-ylmethan-1-ol,zlchem 107,pubchem14535,benzothiazol-2-yl-methanol,chembl71700,1,3-benzothiazol-2-yl methanol |
| IUPAC Name | 1,3-benzothiazol-2-ylmethanol |
| InChI Key | PQXMQZYDBQBWNL-UHFFFAOYSA-N |
| Molecular Formula | C8H7NOS |
trans-1,4-Cyclohexanedimethanol, 98%
CAS: 3236-48-4 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00001512,MFCD00066360 InChI Key: YIMQCDZDWXUDCA-UHFFFAOYSA-N Synonym: 1,4-cyclohexanedimethanol,trans-1,4-cyclohexanedimethanol,chdm,1,4-bis hydroxymethyl cyclohexane,rikabinol dm,cyclohexane-1,4-dimethanol,1,4-chidm,1,4-dimethylolcyclohexane,4-hydroxymethyl cyclohexyl methanol,1,4-cyclohexanedimethanol, cis PubChem CID: 7735 IUPAC Name: [4-(hydroxymethyl)cyclohexyl]methanol SMILES: OCC1CCC(CO)CC1
| PubChem CID | 7735 |
|---|---|
| CAS | 3236-48-4 |
| Molecular Weight (g/mol) | 144.21 |
| MDL Number | MFCD00001512,MFCD00066360 |
| SMILES | OCC1CCC(CO)CC1 |
| Synonym | 1,4-cyclohexanedimethanol,trans-1,4-cyclohexanedimethanol,chdm,1,4-bis hydroxymethyl cyclohexane,rikabinol dm,cyclohexane-1,4-dimethanol,1,4-chidm,1,4-dimethylolcyclohexane,4-hydroxymethyl cyclohexyl methanol,1,4-cyclohexanedimethanol, cis |
| IUPAC Name | [4-(hydroxymethyl)cyclohexyl]methanol |
| InChI Key | YIMQCDZDWXUDCA-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
Di-n-butyl ether, 99+%, Extra Dry, AcroSeal™
CAS: 142-96-1 Molecular Formula: C8H18O Molecular Weight (g/mol): 130.23 MDL Number: MFCD00009461 InChI Key: DURPTKYDGMDSBL-UHFFFAOYSA-N Synonym: di-n-butyl ether,butyl ether,dibutyl ether,butane, 1,1'-oxybis,n-butyl ether,dibutyl oxide,butyl oxide,ether butylique,1,1'-oxybis butane,di-n-butylether PubChem CID: 8909 IUPAC Name: 1-butoxybutane SMILES: CCCCOCCCC
| PubChem CID | 8909 |
|---|---|
| CAS | 142-96-1 |
| Molecular Weight (g/mol) | 130.23 |
| MDL Number | MFCD00009461 |
| SMILES | CCCCOCCCC |
| Synonym | di-n-butyl ether,butyl ether,dibutyl ether,butane, 1,1'-oxybis,n-butyl ether,dibutyl oxide,butyl oxide,ether butylique,1,1'-oxybis butane,di-n-butylether |
| IUPAC Name | 1-butoxybutane |
| InChI Key | DURPTKYDGMDSBL-UHFFFAOYSA-N |
| Molecular Formula | C8H18O |
Isovanillin, Spectrum™ Chemical
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CAS: 621-59-0
| CAS | 621-59-0 |
|---|
Trimethyl orthopropionate, 97%
CAS: 24823-81-2 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.18 MDL Number: MFCD00043305 InChI Key: ZGMNAIODRDOMEK-UHFFFAOYSA-N PubChem CID: 141145 IUPAC Name: 1,1,1-trimethoxypropane SMILES: CCC(OC)(OC)OC
| PubChem CID | 141145 |
|---|---|
| CAS | 24823-81-2 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD00043305 |
| SMILES | CCC(OC)(OC)OC |
| IUPAC Name | 1,1,1-trimethoxypropane |
| InChI Key | ZGMNAIODRDOMEK-UHFFFAOYSA-N |
| Molecular Formula | C6H14O3 |
2-Methyl-5-phenyl-3-furaldehyde, 97%, Thermo Scientific™
CAS: 321309-42-6 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD02681964 InChI Key: QRBXYIYZWZGINC-UHFFFAOYSA-N PubChem CID: 2795313 IUPAC Name: 2-methyl-5-phenylfuran-3-carbaldehyde SMILES: CC1=C(C=C(O1)C2=CC=CC=C2)C=O
| PubChem CID | 2795313 |
|---|---|
| CAS | 321309-42-6 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD02681964 |
| SMILES | CC1=C(C=C(O1)C2=CC=CC=C2)C=O |
| IUPAC Name | 2-methyl-5-phenylfuran-3-carbaldehyde |
| InChI Key | QRBXYIYZWZGINC-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2 |
1-Octadecanol, 97%
CAS: 112-92-5 Molecular Formula: C18H38O Molecular Weight (g/mol): 270.501 MDL Number: MFCD00002823 InChI Key: GLDOVTGHNKAZLK-UHFFFAOYSA-N Synonym: stearyl alcohol,1-octadecanol,octadecanol,octadecyl alcohol,n-octadecanol,1-hydroxyoctadecane,n-1-octadecanol,stearol,n-octadecyl alcohol,stearic alcohol PubChem CID: 8221 ChEBI: CHEBI:32154 IUPAC Name: octadecan-1-ol SMILES: CCCCCCCCCCCCCCCCCCO
| PubChem CID | 8221 |
|---|---|
| CAS | 112-92-5 |
| Molecular Weight (g/mol) | 270.501 |
| ChEBI | CHEBI:32154 |
| MDL Number | MFCD00002823 |
| SMILES | CCCCCCCCCCCCCCCCCCO |
| Synonym | stearyl alcohol,1-octadecanol,octadecanol,octadecyl alcohol,n-octadecanol,1-hydroxyoctadecane,n-1-octadecanol,stearol,n-octadecyl alcohol,stearic alcohol |
| IUPAC Name | octadecan-1-ol |
| InChI Key | GLDOVTGHNKAZLK-UHFFFAOYSA-N |
| Molecular Formula | C18H38O |
2-Bromo-2',4'-dichloroacetophenone, 95%
CAS: 2631-72-3 Molecular Formula: C8H5BrCl2O Molecular Weight (g/mol): 267.931 MDL Number: MFCD00053005 InChI Key: DASJDMQCPIDJIF-UHFFFAOYSA-N Synonym: 2-bromo-2',4'-dichloroacetophenone,2-bromo-1-2,4-dichlorophenyl ethanone,2,4-dichlorophenacyl bromide,2-bromo-1-2,4-dichlorophenyl ethan-1-one,2-bromo-1-2,4-dichloro-phenyl-ethanone,ethanone, 2-bromo-1-2,4-dichlorophenyl,2'-bromo-2,4-dichloro acetophenone,omega-bromo-2,4-dichloro acetophenone,2',4'-dichlorophenacyl bromide,2-bromo-2,4-dichloroacetophenone PubChem CID: 75828 IUPAC Name: 2-bromo-1-(2,4-dichlorophenyl)ethanone SMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)CBr
| PubChem CID | 75828 |
|---|---|
| CAS | 2631-72-3 |
| Molecular Weight (g/mol) | 267.931 |
| MDL Number | MFCD00053005 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(=O)CBr |
| Synonym | 2-bromo-2',4'-dichloroacetophenone,2-bromo-1-2,4-dichlorophenyl ethanone,2,4-dichlorophenacyl bromide,2-bromo-1-2,4-dichlorophenyl ethan-1-one,2-bromo-1-2,4-dichloro-phenyl-ethanone,ethanone, 2-bromo-1-2,4-dichlorophenyl,2'-bromo-2,4-dichloro acetophenone,omega-bromo-2,4-dichloro acetophenone,2',4'-dichlorophenacyl bromide,2-bromo-2,4-dichloroacetophenone |
| IUPAC Name | 2-bromo-1-(2,4-dichlorophenyl)ethanone |
| InChI Key | DASJDMQCPIDJIF-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrCl2O |
Syringaldehyde, 98+%
CAS: 134-96-3 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00006943 InChI Key: KCDXJAYRVLXPFO-UHFFFAOYSA-N Synonym: syringaldehyde,3,5-dimethoxy-4-hydroxybenzaldehyde,syringic aldehyde,syringylaldehyde,syringealdehyde,benzaldehyde, 4-hydroxy-3,5-dimethoxy,gallaldehyde 3,5-dimethyl ether,3,5-dimethoxy-4-hydroxybenzene carbonal,4-hydroxy-3,5-dimethoxy-benzaldehyde,springaldehyde PubChem CID: 8655 ChEBI: CHEBI:67380 IUPAC Name: 4-hydroxy-3,5-dimethoxybenzaldehyde SMILES: COC1=CC(C=O)=CC(OC)=C1O
| PubChem CID | 8655 |
|---|---|
| CAS | 134-96-3 |
| Molecular Weight (g/mol) | 182.18 |
| ChEBI | CHEBI:67380 |
| MDL Number | MFCD00006943 |
| SMILES | COC1=CC(C=O)=CC(OC)=C1O |
| Synonym | syringaldehyde,3,5-dimethoxy-4-hydroxybenzaldehyde,syringic aldehyde,syringylaldehyde,syringealdehyde,benzaldehyde, 4-hydroxy-3,5-dimethoxy,gallaldehyde 3,5-dimethyl ether,3,5-dimethoxy-4-hydroxybenzene carbonal,4-hydroxy-3,5-dimethoxy-benzaldehyde,springaldehyde |
| IUPAC Name | 4-hydroxy-3,5-dimethoxybenzaldehyde |
| InChI Key | KCDXJAYRVLXPFO-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
Biphenyl-4-carboxaldehyde, 98+%
CAS: 3218-36-8 Molecular Formula: C13H10O Molecular Weight (g/mol): 182.22 MDL Number: MFCD00006947 InChI Key: ISDBWOPVZKNQDW-UHFFFAOYSA-N Synonym: 4-biphenylcarboxaldehyde,4-biphenylaldehyde,p-phenylbenzaldehyde,1,1'-biphenyl-4-carbaldehyde,biphenyl-4-carboxaldehyde,4-formylbiphenyl,p-biphenylylaldehyde,1,1'-biphenyl-4-carboxaldehyde,p-biphenylaldehyde,p-biphenylcarboxaldehyde PubChem CID: 76689 IUPAC Name: 4-phenylbenzaldehyde SMILES: O=CC1=CC=C(C=C1)C1=CC=CC=C1
| PubChem CID | 76689 |
|---|---|
| CAS | 3218-36-8 |
| Molecular Weight (g/mol) | 182.22 |
| MDL Number | MFCD00006947 |
| SMILES | O=CC1=CC=C(C=C1)C1=CC=CC=C1 |
| Synonym | 4-biphenylcarboxaldehyde,4-biphenylaldehyde,p-phenylbenzaldehyde,1,1'-biphenyl-4-carbaldehyde,biphenyl-4-carboxaldehyde,4-formylbiphenyl,p-biphenylylaldehyde,1,1'-biphenyl-4-carboxaldehyde,p-biphenylaldehyde,p-biphenylcarboxaldehyde |
| IUPAC Name | 4-phenylbenzaldehyde |
| InChI Key | ISDBWOPVZKNQDW-UHFFFAOYSA-N |
| Molecular Formula | C13H10O |
Ethyl 2-cyanoacetoacetate
CAS: 634-55-9 Molecular Formula: C7H9NO3 Molecular Weight (g/mol): 155.15 MDL Number: MFCD00043487 InChI Key: NWOKVFOTWMZMHL-UHFFFAOYNA-N Synonym: ethyl 2-cyanoacetoacetate,ethyl 2-acetylcyanoacetate,ethyl a-cyanoacetoacetate,ethyl alpha-cyanoacetoacetate,butanoic acid, 2-cyano-3-oxo-, ethyl ester,ethyl2-acetylcyanoacetate,ethyl 2-cyano-3-oxo-butanoate,2-cyanoacetoacetic acid ethyl ester,2-cyano-3-oxo-butyric acid ethyl ester,zlchem 939 PubChem CID: 136455 ChEBI: CHEBI:51924 IUPAC Name: ethyl 2-cyano-3-oxobutanoate SMILES: CCOC(=O)C(C#N)C(C)=O
| PubChem CID | 136455 |
|---|---|
| CAS | 634-55-9 |
| Molecular Weight (g/mol) | 155.15 |
| ChEBI | CHEBI:51924 |
| MDL Number | MFCD00043487 |
| SMILES | CCOC(=O)C(C#N)C(C)=O |
| Synonym | ethyl 2-cyanoacetoacetate,ethyl 2-acetylcyanoacetate,ethyl a-cyanoacetoacetate,ethyl alpha-cyanoacetoacetate,butanoic acid, 2-cyano-3-oxo-, ethyl ester,ethyl2-acetylcyanoacetate,ethyl 2-cyano-3-oxo-butanoate,2-cyanoacetoacetic acid ethyl ester,2-cyano-3-oxo-butyric acid ethyl ester,zlchem 939 |
| IUPAC Name | ethyl 2-cyano-3-oxobutanoate |
| InChI Key | NWOKVFOTWMZMHL-UHFFFAOYNA-N |
| Molecular Formula | C7H9NO3 |