Organooxygen compounds
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LabChem, Inc. Ascorbic Acid, Reagent Grade, LabChem™
CAS: 50-81-7 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00064328 InChI Key: CIWBSHSKHKDKBQ-DOMZIZNONA-N Synonym: l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin PubChem CID: 54670067 ChEBI: CHEBI:29073 IUPAC Name: (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one SMILES: OC[C@H](O)[C@H]1OC(=O)C(O)=C1O
| PubChem CID | 54670067 |
|---|---|
| CAS | 50-81-7 |
| Molecular Weight (g/mol) | 176.12 |
| ChEBI | CHEBI:29073 |
| MDL Number | MFCD00064328 |
| SMILES | OC[C@H](O)[C@H]1OC(=O)C(O)=C1O |
| Synonym | l-ascorbic acid,ascorbic acid,vitamin c,l-ascorbate,ascorbate,ascorbicap,l +-ascorbic acid,cevitamic acid,ascoltin,hybrin |
| IUPAC Name | (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2,5-dihydrofuran-2-one |
| InChI Key | CIWBSHSKHKDKBQ-DOMZIZNONA-N |
| Molecular Formula | C6H8O6 |
3-Methoxythiophene 98.0+%, TCI America™
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CAS: 17573-92-1 Molecular Formula: C5H6OS Molecular Weight (g/mol): 114.162 MDL Number: MFCD00043894 InChI Key: RFSKGCVUDQRZSD-UHFFFAOYSA-N Synonym: thiophene, 3-methoxy,3-methoxy-thiophene,pubchem8863,acmc-1bow6,3-methoxythiophene,ksc491i4p,bidd:gt0411 PubChem CID: 140249 IUPAC Name: 3-methoxythiophene SMILES: COC1=CSC=C1
| PubChem CID | 140249 |
|---|---|
| CAS | 17573-92-1 |
| Molecular Weight (g/mol) | 114.162 |
| MDL Number | MFCD00043894 |
| SMILES | COC1=CSC=C1 |
| Synonym | thiophene, 3-methoxy,3-methoxy-thiophene,pubchem8863,acmc-1bow6,3-methoxythiophene,ksc491i4p,bidd:gt0411 |
| IUPAC Name | 3-methoxythiophene |
| InChI Key | RFSKGCVUDQRZSD-UHFFFAOYSA-N |
| Molecular Formula | C5H6OS |
1-Phenyl-1-butanol 98.0+%, TCI America™
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CAS: 614-14-2 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00066173 InChI Key: HQRWWHIETAKIMO-UHFFFAOYSA-N Synonym: alpha-Propylbenzyl Alcohol PubChem CID: 95372 IUPAC Name: 1-phenylbutan-1-ol SMILES: CCCC(C1=CC=CC=C1)O
| PubChem CID | 95372 |
|---|---|
| CAS | 614-14-2 |
| Molecular Weight (g/mol) | 150.221 |
| MDL Number | MFCD00066173 |
| SMILES | CCCC(C1=CC=CC=C1)O |
| Synonym | alpha-Propylbenzyl Alcohol |
| IUPAC Name | 1-phenylbutan-1-ol |
| InChI Key | HQRWWHIETAKIMO-UHFFFAOYSA-N |
| Molecular Formula | C10H14O |
1,2-Cyclohexanediol (cis- and trans- mixture) 98.0+%, TCI America™
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CAS: 931-17-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00003861 InChI Key: PFURGBBHAOXLIO-UHFFFAOYSA-N Synonym: 1,2-cyclohexanediol,2-hydroxycyclohexanol,pyrocatechitol,1,2-dihydroxycyclohexane,brenzkatechin,1,2-benzenediol, hexahydro,brenzkatechin german,1,2-trans-cyclohexanediol,trans-1,2-dihydroxycyclohexane,1,2-cyclohexanediol, mixture of cis and trans PubChem CID: 13601 ChEBI: CHEBI:24567 IUPAC Name: cyclohexane-1,2-diol SMILES: C1CCC(C(C1)O)O
| PubChem CID | 13601 |
|---|---|
| CAS | 931-17-9 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:24567 |
| MDL Number | MFCD00003861 |
| SMILES | C1CCC(C(C1)O)O |
| Synonym | 1,2-cyclohexanediol,2-hydroxycyclohexanol,pyrocatechitol,1,2-dihydroxycyclohexane,brenzkatechin,1,2-benzenediol, hexahydro,brenzkatechin german,1,2-trans-cyclohexanediol,trans-1,2-dihydroxycyclohexane,1,2-cyclohexanediol, mixture of cis and trans |
| IUPAC Name | cyclohexane-1,2-diol |
| InChI Key | PFURGBBHAOXLIO-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
3-Pyridinepropanol 98.0+%, TCI America™
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CAS: 2859-67-8 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 MDL Number: MFCD00006414 InChI Key: ZUGAIMFLQLPTKB-UHFFFAOYSA-N Synonym: 3-(3-Hydroxypropyl)pyridine, 3-(3-Pyridyl)propanol PubChem CID: 17861 IUPAC Name: 3-pyridin-3-ylpropan-1-ol SMILES: C1=CC(=CN=C1)CCCO
| PubChem CID | 17861 |
|---|---|
| CAS | 2859-67-8 |
| Molecular Weight (g/mol) | 137.182 |
| MDL Number | MFCD00006414 |
| SMILES | C1=CC(=CN=C1)CCCO |
| Synonym | 3-(3-Hydroxypropyl)pyridine, 3-(3-Pyridyl)propanol |
| IUPAC Name | 3-pyridin-3-ylpropan-1-ol |
| InChI Key | ZUGAIMFLQLPTKB-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
Monopalmitin 95.0+%, TCI America™
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CAS: 542-44-9 Molecular Formula: C19H38O4 Molecular Weight (g/mol): 330.51 MDL Number: MFCD00042734 InChI Key: QHZLMUACJMDIAE-UHFFFAOYNA-N Synonym: Glycerol alpha-Monopalmitate PubChem CID: 14900 ChEBI: CHEBI:69081 IUPAC Name: 2,3-dihydroxypropyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC(O)CO
| PubChem CID | 14900 |
|---|---|
| CAS | 542-44-9 |
| Molecular Weight (g/mol) | 330.51 |
| ChEBI | CHEBI:69081 |
| MDL Number | MFCD00042734 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(O)CO |
| Synonym | Glycerol alpha-Monopalmitate |
| IUPAC Name | 2,3-dihydroxypropyl hexadecanoate |
| InChI Key | QHZLMUACJMDIAE-UHFFFAOYNA-N |
| Molecular Formula | C19H38O4 |
3-(4-Bromobenzoyl)propionic Acid 98.0+%, TCI America™
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CAS: 6340-79-0 Molecular Formula: C10H9BrO3 Molecular Weight (g/mol): 257.08 MDL Number: MFCD00016563 InChI Key: ZODFRCZNTXLDDW-UHFFFAOYSA-N Synonym: 3-4-bromobenzoyl propionic acid,4-4-bromophenyl-4-oxobutanoic acid,3-p-bromobenzoyl propionic acid,4-4-bromo-phenyl-4-oxo-butyric acid,3-4-bromobenzoyl propanoic acid,4-4-bromophenyl-4-oxobutyric acid,4-4-bromophenyl-4-oxo-butyric acid,4-4-bromophenyl-4-oxo-butanoic acid,benzenebutanoic acid, 4-bromo-gamma-oxo,4-bromo-gamma-oxo-benzenebutanoic acid PubChem CID: 80646 IUPAC Name: 4-(4-bromophenyl)-4-oxobutanoic acid SMILES: OC(=O)CCC(=O)C1=CC=C(Br)C=C1
| PubChem CID | 80646 |
|---|---|
| CAS | 6340-79-0 |
| Molecular Weight (g/mol) | 257.08 |
| MDL Number | MFCD00016563 |
| SMILES | OC(=O)CCC(=O)C1=CC=C(Br)C=C1 |
| Synonym | 3-4-bromobenzoyl propionic acid,4-4-bromophenyl-4-oxobutanoic acid,3-p-bromobenzoyl propionic acid,4-4-bromo-phenyl-4-oxo-butyric acid,3-4-bromobenzoyl propanoic acid,4-4-bromophenyl-4-oxobutyric acid,4-4-bromophenyl-4-oxo-butyric acid,4-4-bromophenyl-4-oxo-butanoic acid,benzenebutanoic acid, 4-bromo-gamma-oxo,4-bromo-gamma-oxo-benzenebutanoic acid |
| IUPAC Name | 4-(4-bromophenyl)-4-oxobutanoic acid |
| InChI Key | ZODFRCZNTXLDDW-UHFFFAOYSA-N |
| Molecular Formula | C10H9BrO3 |
3-Methoxy-1-propanol 98.0+%, TCI America™
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CAS: 1589-49-7 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.122 MDL Number: MFCD00039550 InChI Key: JDFDHBSESGTDAL-UHFFFAOYSA-N Synonym: 3-methoxy-1-propanol,1-propanol, 3-methoxy,3-methoxypropanol,trimethylene glycol monomethyl ether,beta-pgme,1,3-propanediol monomethyl ether,unii-oak281wz1p,propylene glycol monomethyl ether, beta,oak281wz1p,mpol PubChem CID: 74116 IUPAC Name: 3-methoxypropan-1-ol SMILES: COCCCO
| PubChem CID | 74116 |
|---|---|
| CAS | 1589-49-7 |
| Molecular Weight (g/mol) | 90.122 |
| MDL Number | MFCD00039550 |
| SMILES | COCCCO |
| Synonym | 3-methoxy-1-propanol,1-propanol, 3-methoxy,3-methoxypropanol,trimethylene glycol monomethyl ether,beta-pgme,1,3-propanediol monomethyl ether,unii-oak281wz1p,propylene glycol monomethyl ether, beta,oak281wz1p,mpol |
| IUPAC Name | 3-methoxypropan-1-ol |
| InChI Key | JDFDHBSESGTDAL-UHFFFAOYSA-N |
| Molecular Formula | C4H10O2 |
3',5'-Dichloroacetophenone 98.0+%, TCI America™
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CAS: 14401-72-0 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.035 MDL Number: MFCD00045189 InChI Key: JGMBBKVZFUHCJC-UHFFFAOYSA-N PubChem CID: 2758058 IUPAC Name: 1-(3,5-dichlorophenyl)ethanone SMILES: CC(=O)C1=CC(=CC(=C1)Cl)Cl
| PubChem CID | 2758058 |
|---|---|
| CAS | 14401-72-0 |
| Molecular Weight (g/mol) | 189.035 |
| MDL Number | MFCD00045189 |
| SMILES | CC(=O)C1=CC(=CC(=C1)Cl)Cl |
| IUPAC Name | 1-(3,5-dichlorophenyl)ethanone |
| InChI Key | JGMBBKVZFUHCJC-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O |
Disperse Blue 14, TCI America™
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CAS: 2475-44-7 Molecular Formula: C16H14N2O2 Molecular Weight (g/mol): 266.30 MDL Number: MFCD00001198 InChI Key: QOSTVEDABRQTSU-UHFFFAOYSA-N Synonym: disperse blue 14,1,4-bis methylamino anthraquinone,resiren blue tb,solvent blue 78,acetate blue b,celliton fast blue b,cibacet blue br,setacyl blue bs,teraprint blue r,1,4-bis methylamino anthracene-9,10-dione PubChem CID: 17189 IUPAC Name: 1,4-bis(methylamino)-9,10-dihydroanthracene-9,10-dione SMILES: CNC1=CC=C(NC)C2=C1C(=O)C1=CC=CC=C1C2=O
| PubChem CID | 17189 |
|---|---|
| CAS | 2475-44-7 |
| Molecular Weight (g/mol) | 266.30 |
| MDL Number | MFCD00001198 |
| SMILES | CNC1=CC=C(NC)C2=C1C(=O)C1=CC=CC=C1C2=O |
| Synonym | disperse blue 14,1,4-bis methylamino anthraquinone,resiren blue tb,solvent blue 78,acetate blue b,celliton fast blue b,cibacet blue br,setacyl blue bs,teraprint blue r,1,4-bis methylamino anthracene-9,10-dione |
| IUPAC Name | 1,4-bis(methylamino)-9,10-dihydroanthracene-9,10-dione |
| InChI Key | QOSTVEDABRQTSU-UHFFFAOYSA-N |
| Molecular Formula | C16H14N2O2 |
3,3-Dibromo-1,1,1-trifluoroacetone 98.0+%, TCI America™
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CAS: 431-67-4 Molecular Formula: C3HBr2F3O Molecular Weight (g/mol): 269.843 MDL Number: MFCD00041362 InChI Key: HEPPAPZASXFWTB-UHFFFAOYSA-N Synonym: 1,1-dibromo-3,3,3-trifluoroacetone,3,3-dibromo-1,1,1-trifluoroacetone,3,3-dibromo-1,1,1-trifluoro-propan-2-one,2-propanone, 3,3-dibromo-1,1,1-trifluoro,dibromotrifluoroaceton,pubchem12627,3,3-dibromotrifluoroacetone,ksc237m8t,l,l-dibromo-3,3,3-trifluoroacetone,1,1-di-bromo-3,3,3-trifluoroacetone PubChem CID: 550523 IUPAC Name: 3,3-dibromo-1,1,1-trifluoropropan-2-one SMILES: C(C(=O)C(F)(F)F)(Br)Br
| PubChem CID | 550523 |
|---|---|
| CAS | 431-67-4 |
| Molecular Weight (g/mol) | 269.843 |
| MDL Number | MFCD00041362 |
| SMILES | C(C(=O)C(F)(F)F)(Br)Br |
| Synonym | 1,1-dibromo-3,3,3-trifluoroacetone,3,3-dibromo-1,1,1-trifluoroacetone,3,3-dibromo-1,1,1-trifluoro-propan-2-one,2-propanone, 3,3-dibromo-1,1,1-trifluoro,dibromotrifluoroaceton,pubchem12627,3,3-dibromotrifluoroacetone,ksc237m8t,l,l-dibromo-3,3,3-trifluoroacetone,1,1-di-bromo-3,3,3-trifluoroacetone |
| IUPAC Name | 3,3-dibromo-1,1,1-trifluoropropan-2-one |
| InChI Key | HEPPAPZASXFWTB-UHFFFAOYSA-N |
| Molecular Formula | C3HBr2F3O |
Polyethylene Glycol Monostearate (n=approx. 4) (palmitate and stearate mixture), TCI America™
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CAS: 9004-99-3 Molecular Formula: C20H40O3 Molecular Weight (g/mol): 328.537 MDL Number: MFCD00148007 InChI Key: RFVNOJDQRGSOEL-UHFFFAOYSA-N PubChem CID: 24762 IUPAC Name: 2-hydroxyethyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCO
| PubChem CID | 24762 |
|---|---|
| CAS | 9004-99-3 |
| Molecular Weight (g/mol) | 328.537 |
| MDL Number | MFCD00148007 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCO |
| IUPAC Name | 2-hydroxyethyl octadecanoate |
| InChI Key | RFVNOJDQRGSOEL-UHFFFAOYSA-N |
| Molecular Formula | C20H40O3 |
Heptanal 95.0+%, TCI America™
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CAS: 111-71-7 Molecular Formula: C7H14O Molecular Weight (g/mol): 114.19 MDL Number: MFCD00007028 InChI Key: FXHGMKSSBGDXIY-UHFFFAOYSA-N Synonym: heptaldehyde,enanthaldehyde,n-heptaldehyde,enanthal,heptyl aldehyde,heptanaldehyde,n-heptanal,oenanthaldehyde,enanthole,oenanthal PubChem CID: 8130 ChEBI: CHEBI:34787 IUPAC Name: heptanal SMILES: CCCCCCC=O
| PubChem CID | 8130 |
|---|---|
| CAS | 111-71-7 |
| Molecular Weight (g/mol) | 114.19 |
| ChEBI | CHEBI:34787 |
| MDL Number | MFCD00007028 |
| SMILES | CCCCCCC=O |
| Synonym | heptaldehyde,enanthaldehyde,n-heptaldehyde,enanthal,heptyl aldehyde,heptanaldehyde,n-heptanal,oenanthaldehyde,enanthole,oenanthal |
| IUPAC Name | heptanal |
| InChI Key | FXHGMKSSBGDXIY-UHFFFAOYSA-N |
| Molecular Formula | C7H14O |
1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanone 98.0+%, TCI America™
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CAS: 756-13-8 Molecular Formula: C6F12O Molecular Weight (g/mol): 316.05 MDL Number: MFCD04038343 InChI Key: RMLFHPWPTXWZNJ-UHFFFAOYSA-N Synonym: Perfluoroethyl Perfluoroisopropyl Ketone PubChem CID: 2782408 IUPAC Name: 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one SMILES: FC(F)(F)C(F)(F)C(=O)C(F)(C(F)(F)F)C(F)(F)F
| PubChem CID | 2782408 |
|---|---|
| CAS | 756-13-8 |
| Molecular Weight (g/mol) | 316.05 |
| MDL Number | MFCD04038343 |
| SMILES | FC(F)(F)C(F)(F)C(=O)C(F)(C(F)(F)F)C(F)(F)F |
| Synonym | Perfluoroethyl Perfluoroisopropyl Ketone |
| IUPAC Name | 1,1,1,2,2,4,5,5,5-nonafluoro-4-(trifluoromethyl)pentan-3-one |
| InChI Key | RMLFHPWPTXWZNJ-UHFFFAOYSA-N |
| Molecular Formula | C6F12O |
2',3',4'-Trimethoxyacetophenone 97.0+%, TCI America™
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CAS: 13909-73-4 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.229 MDL Number: MFCD00008726 InChI Key: PKNAATJMQOUREZ-UHFFFAOYSA-N Synonym: 2',3',4'-trimethoxyacetophenone,2,3,4-trimethoxyacetophenone,1-2,3,4-trimethoxyphenyl ethanone,ethanone, 1-2,3,4-trimethoxyphenyl,unii-f3jc7zp11a,f3jc7zp11a,ethanone,1-2,3,4-trimethoxyphenyl,2',3',4' trimethoxyacetophenone,1-acetyl-2,3,4-trimethoxybenzene,1-2,3,4-trimethoxyphenyl ethan-1-one PubChem CID: 83810 IUPAC Name: 1-(2,3,4-trimethoxyphenyl)ethanone SMILES: CC(=O)C1=C(C(=C(C=C1)OC)OC)OC
| PubChem CID | 83810 |
|---|---|
| CAS | 13909-73-4 |
| Molecular Weight (g/mol) | 210.229 |
| MDL Number | MFCD00008726 |
| SMILES | CC(=O)C1=C(C(=C(C=C1)OC)OC)OC |
| Synonym | 2',3',4'-trimethoxyacetophenone,2,3,4-trimethoxyacetophenone,1-2,3,4-trimethoxyphenyl ethanone,ethanone, 1-2,3,4-trimethoxyphenyl,unii-f3jc7zp11a,f3jc7zp11a,ethanone,1-2,3,4-trimethoxyphenyl,2',3',4' trimethoxyacetophenone,1-acetyl-2,3,4-trimethoxybenzene,1-2,3,4-trimethoxyphenyl ethan-1-one |
| IUPAC Name | 1-(2,3,4-trimethoxyphenyl)ethanone |
| InChI Key | PKNAATJMQOUREZ-UHFFFAOYSA-N |
| Molecular Formula | C11H14O4 |