Organooxygen compounds
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2,6-Diacetylpyridine, 99%
CAS: 1129-30-2 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00006304 InChI Key: BEZVGIHGZPLGBL-UHFFFAOYSA-N Synonym: 2,6-diacetylpyridine,1,1'-pyridine-2,6-diyl diethanone,1-6-acetylpyridin-2-yl ethanone,pyridine-2,6-diacetyl,2,6-diacetyl pyridine,1-6-acetyl-pyridin-2-yl-ethanone,ethanone, 1,1'-2,6-pyridinediyl bis,1-6-acetylpyridin-2-yl ethan-1-one,2,6diacetylpyridine,pubchem3144 PubChem CID: 70790 IUPAC Name: 1-(6-acetylpyridin-2-yl)ethanone SMILES: CC(=O)C1=CC=CC(=N1)C(C)=O
| PubChem CID | 70790 |
|---|---|
| CAS | 1129-30-2 |
| Molecular Weight (g/mol) | 163.18 |
| MDL Number | MFCD00006304 |
| SMILES | CC(=O)C1=CC=CC(=N1)C(C)=O |
| Synonym | 2,6-diacetylpyridine,1,1'-pyridine-2,6-diyl diethanone,1-6-acetylpyridin-2-yl ethanone,pyridine-2,6-diacetyl,2,6-diacetyl pyridine,1-6-acetyl-pyridin-2-yl-ethanone,ethanone, 1,1'-2,6-pyridinediyl bis,1-6-acetylpyridin-2-yl ethan-1-one,2,6diacetylpyridine,pubchem3144 |
| IUPAC Name | 1-(6-acetylpyridin-2-yl)ethanone |
| InChI Key | BEZVGIHGZPLGBL-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2 |
2-Acetylpyrrole, 98%
CAS: 1072-83-9 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.128 MDL Number: MFCD00005220 InChI Key: IGJQUJNPMOYEJY-UHFFFAOYSA-N Synonym: 2-acetylpyrrole,1-1h-pyrrol-2-yl ethanone,1-1h-pyrrol-2-yl ethan-1-one,2-acetyl pyrrole,2-pyrrolylethanone,2-acetyl-1h-pyrrole,methyl pyrrol-2-yl ketone,ethanone, 1-1h-pyrrol-2-yl,2-pyrrolyl methyl ketone,ketone, methyl pyrrol-2-yl PubChem CID: 14079 ChEBI: CHEBI:59981 IUPAC Name: 1-(1H-pyrrol-2-yl)ethanone SMILES: CC(=O)C1=CC=CN1
| PubChem CID | 14079 |
|---|---|
| CAS | 1072-83-9 |
| Molecular Weight (g/mol) | 109.128 |
| ChEBI | CHEBI:59981 |
| MDL Number | MFCD00005220 |
| SMILES | CC(=O)C1=CC=CN1 |
| Synonym | 2-acetylpyrrole,1-1h-pyrrol-2-yl ethanone,1-1h-pyrrol-2-yl ethan-1-one,2-acetyl pyrrole,2-pyrrolylethanone,2-acetyl-1h-pyrrole,methyl pyrrol-2-yl ketone,ethanone, 1-1h-pyrrol-2-yl,2-pyrrolyl methyl ketone,ketone, methyl pyrrol-2-yl |
| IUPAC Name | 1-(1H-pyrrol-2-yl)ethanone |
| InChI Key | IGJQUJNPMOYEJY-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
4'-Chloroacetophenone, 98+%
CAS: 99-91-2 Molecular Formula: C8H7ClO Molecular Weight (g/mol): 154.59 MDL Number: MFCD00000624 InChI Key: BUZYGTVTZYSBCU-UHFFFAOYSA-N Synonym: 4'-chloroacetophenone,1-4-chlorophenyl ethanone,4-chloroacetophenone,p-chloroacetophenone,ethanone, 1-4-chlorophenyl,acetophenone, 4'-chloro,1-4-chlorophenyl ethan-1-one,4-acetylchlorobenzene,p-chloracetophenone,p-acetylchlorobenzene PubChem CID: 7467 ChEBI: CHEBI:27538 IUPAC Name: 1-(4-chlorophenyl)ethanone SMILES: CC(=O)C1=CC=C(Cl)C=C1
| PubChem CID | 7467 |
|---|---|
| CAS | 99-91-2 |
| Molecular Weight (g/mol) | 154.59 |
| ChEBI | CHEBI:27538 |
| MDL Number | MFCD00000624 |
| SMILES | CC(=O)C1=CC=C(Cl)C=C1 |
| Synonym | 4'-chloroacetophenone,1-4-chlorophenyl ethanone,4-chloroacetophenone,p-chloroacetophenone,ethanone, 1-4-chlorophenyl,acetophenone, 4'-chloro,1-4-chlorophenyl ethan-1-one,4-acetylchlorobenzene,p-chloracetophenone,p-acetylchlorobenzene |
| IUPAC Name | 1-(4-chlorophenyl)ethanone |
| InChI Key | BUZYGTVTZYSBCU-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO |
tert-Butyl ethyl ether, 99%
CAS: 637-92-3 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.18 MDL Number: MFCD00009225 InChI Key: NUMQCACRALPSHD-UHFFFAOYSA-N Synonym: tert-butyl ethyl ether,ethyl tert-butyl ether,etbe,propane, 2-ethoxy-2-methyl,ethyl tert-butyl oxide,ether, tert-butyl ethyl,2-methyl-2-ethoxypropane,ethyl t-butyl ether,tert-butylethylether,methyl-2-ethoxypropane PubChem CID: 12512 IUPAC Name: 2-ethoxy-2-methylpropane SMILES: CCOC(C)(C)C
| PubChem CID | 12512 |
|---|---|
| CAS | 637-92-3 |
| Molecular Weight (g/mol) | 102.18 |
| MDL Number | MFCD00009225 |
| SMILES | CCOC(C)(C)C |
| Synonym | tert-butyl ethyl ether,ethyl tert-butyl ether,etbe,propane, 2-ethoxy-2-methyl,ethyl tert-butyl oxide,ether, tert-butyl ethyl,2-methyl-2-ethoxypropane,ethyl t-butyl ether,tert-butylethylether,methyl-2-ethoxypropane |
| IUPAC Name | 2-ethoxy-2-methylpropane |
| InChI Key | NUMQCACRALPSHD-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |
4-(2-Aminoethyl)morpholine, 98+%
CAS: 2038-03-1 Molecular Formula: C6H14N2O Molecular Weight (g/mol): 130.19 MDL Number: MFCD00006182 InChI Key: RWIVICVCHVMHMU-UHFFFAOYSA-N
| CAS | 2038-03-1 |
|---|---|
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD00006182 |
| InChI Key | RWIVICVCHVMHMU-UHFFFAOYSA-N |
| Molecular Formula | C6H14N2O |
2,3-Pentanedione, 97%
CAS: 600-14-6 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00009313 InChI Key: TZMFJUDUGYTVRY-UHFFFAOYSA-N Synonym: 2,3-pentanedione,acetylpropionyl,acetyl propionyl,2,3-pentadione,acetylpropionyl van,unii-k4wbe45scm,acetyl propionyl natural,2,3-pentane-dione,pentan-2,3-dione,ethyl methyl diketone PubChem CID: 11747 ChEBI: CHEBI:52774 IUPAC Name: pentane-2,3-dione SMILES: CCC(=O)C(C)=O
| PubChem CID | 11747 |
|---|---|
| CAS | 600-14-6 |
| Molecular Weight (g/mol) | 100.12 |
| ChEBI | CHEBI:52774 |
| MDL Number | MFCD00009313 |
| SMILES | CCC(=O)C(C)=O |
| Synonym | 2,3-pentanedione,acetylpropionyl,acetyl propionyl,2,3-pentadione,acetylpropionyl van,unii-k4wbe45scm,acetyl propionyl natural,2,3-pentane-dione,pentan-2,3-dione,ethyl methyl diketone |
| IUPAC Name | pentane-2,3-dione |
| InChI Key | TZMFJUDUGYTVRY-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
Ethyl acetoacetate, 99%, pure
CAS: 141-97-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00009199 InChI Key: XYIBRDXRRQCHLP-UHFFFAOYSA-N Synonym: ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate PubChem CID: 8868 ChEBI: CHEBI:4893 IUPAC Name: ethyl 3-oxobutanoate SMILES: CCOC(=O)CC(=O)C
| PubChem CID | 8868 |
|---|---|
| CAS | 141-97-9 |
| Molecular Weight (g/mol) | 130.14 |
| ChEBI | CHEBI:4893 |
| MDL Number | MFCD00009199 |
| SMILES | CCOC(=O)CC(=O)C |
| Synonym | ethyl acetoacetate,ethyl acetylacetate,ethyl 3-oxobutyrate,diacetic ether,butanoic acid, 3-oxo-, ethyl ester,ethyl acetylacetonate,acetoacetic acid, ethyl ester,3-oxobutanoic acid ethyl ester,3-oxo-butyric acid ethyl ester,active acetylacetate |
| IUPAC Name | ethyl 3-oxobutanoate |
| InChI Key | XYIBRDXRRQCHLP-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
1,5-Pentanediol, 98%
CAS: 111-29-5 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00002978 InChI Key: ALQSHHUCVQOPAS-UHFFFAOYSA-N Synonym: 1,5-pentanediol,1,5-dihydroxypentane,pentylene glycol,pentamethylene glycol,1,5-pentylene glycol,1,5 pentanediol,1,5-pentamethylene glycol,alpha,omega-pentanediol,unii-07uxz0scst,1,5-pentandiol PubChem CID: 8105 IUPAC Name: pentane-1,5-diol SMILES: OCCCCCO
| PubChem CID | 8105 |
|---|---|
| CAS | 111-29-5 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00002978 |
| SMILES | OCCCCCO |
| Synonym | 1,5-pentanediol,1,5-dihydroxypentane,pentylene glycol,pentamethylene glycol,1,5-pentylene glycol,1,5 pentanediol,1,5-pentamethylene glycol,alpha,omega-pentanediol,unii-07uxz0scst,1,5-pentandiol |
| IUPAC Name | pentane-1,5-diol |
| InChI Key | ALQSHHUCVQOPAS-UHFFFAOYSA-N |
| Molecular Formula | C5H12O2 |
alpha,alpha,alpha-Trifluoroacetophenone, 99%
CAS: 434-45-7 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.12 MDL Number: MFCD00000420 InChI Key: KZJRKRQSDZGHEC-UHFFFAOYSA-N Synonym: trifluoroacetophenone,2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-phenylethan-1-one,phenyl trifluoromethyl ketone,trifluoromethyl phenyl ketone,alpha,alpha,alpha-trifluoroacetophenone,ethanone, 2,2,2-trifluoro-1-phenyl,2,2,2-trifluoro-1-phenyl-ethanone,trifluoroacetylbenzene,unii-6t7l1upy09 PubChem CID: 9905 IUPAC Name: 2,2,2-trifluoro-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C(F)(F)F
| PubChem CID | 9905 |
|---|---|
| CAS | 434-45-7 |
| Molecular Weight (g/mol) | 174.12 |
| MDL Number | MFCD00000420 |
| SMILES | C1=CC=C(C=C1)C(=O)C(F)(F)F |
| Synonym | trifluoroacetophenone,2,2,2-trifluoroacetophenone,2,2,2-trifluoro-1-phenylethan-1-one,phenyl trifluoromethyl ketone,trifluoromethyl phenyl ketone,alpha,alpha,alpha-trifluoroacetophenone,ethanone, 2,2,2-trifluoro-1-phenyl,2,2,2-trifluoro-1-phenyl-ethanone,trifluoroacetylbenzene,unii-6t7l1upy09 |
| IUPAC Name | 2,2,2-trifluoro-1-phenylethanone |
| InChI Key | KZJRKRQSDZGHEC-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O |
Malonic acid, 99%, MP Biomedicals™
CAS: 141-82-2 Molecular Formula: C3H4O4 Molecular Weight (g/mol): 104.061 InChI Key: OFOBLEOULBTSOW-UHFFFAOYSA-N Synonym: malonic acid,dicarboxymethane,carboxyacetic acid,methanedicarboxylic acid,kyselina malonova,usaf ek-695,dicarboxylate,dicarboxylic acid,kyselina malonova czech,propanediolic acid PubChem CID: 867 ChEBI: CHEBI:30794 IUPAC Name: propanedioic acid SMILES: C(C(=O)O)C(=O)O
| PubChem CID | 867 |
|---|---|
| CAS | 141-82-2 |
| Molecular Weight (g/mol) | 104.061 |
| ChEBI | CHEBI:30794 |
| SMILES | C(C(=O)O)C(=O)O |
| Synonym | malonic acid,dicarboxymethane,carboxyacetic acid,methanedicarboxylic acid,kyselina malonova,usaf ek-695,dicarboxylate,dicarboxylic acid,kyselina malonova czech,propanediolic acid |
| IUPAC Name | propanedioic acid |
| InChI Key | OFOBLEOULBTSOW-UHFFFAOYSA-N |
| Molecular Formula | C3H4O4 |
Glyoxal, 40% w/w aq. soln.
CAS: 107-22-2 Molecular Formula: C2H2O2 Molecular Weight (g/mol): 58.036 MDL Number: MFCD00006957 InChI Key: LEQAOMBKQFMDFZ-UHFFFAOYSA-N Synonym: glyoxal,ethanedial,oxalaldehyde,1,2-ethanedione,glyoxylaldehyde,biformal,biformyl,diformal,diformyl,aerotex glyoxal 40 PubChem CID: 7860 ChEBI: CHEBI:34779 IUPAC Name: oxaldehyde SMILES: C(=O)C=O
| PubChem CID | 7860 |
|---|---|
| CAS | 107-22-2 |
| Molecular Weight (g/mol) | 58.036 |
| ChEBI | CHEBI:34779 |
| MDL Number | MFCD00006957 |
| SMILES | C(=O)C=O |
| Synonym | glyoxal,ethanedial,oxalaldehyde,1,2-ethanedione,glyoxylaldehyde,biformal,biformyl,diformal,diformyl,aerotex glyoxal 40 |
| IUPAC Name | oxaldehyde |
| InChI Key | LEQAOMBKQFMDFZ-UHFFFAOYSA-N |
| Molecular Formula | C2H2O2 |
2-Hydroxycyclohexanone dimer, 90+%
CAS: 30282-14-5 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00151157 InChI Key: ODZTXUXIYGJLMC-UHFFFAOYSA-N Synonym: 2-hydroxycyclohexanone,adipoin,2-hydroxy-1-cyclohexanone,cyclohexanone, 2-hydroxy,2-hydroxy-cyclohexanone,cyclohexanone, 2-hydroxy-, 2r,cyclohexanone, 2-hydroxy-, dimer,cyclohexanone, dimer,zlchem 1128,acmc-20n5uh PubChem CID: 10785 ChEBI: CHEBI:17878 IUPAC Name: 2-hydroxycyclohexan-1-one SMILES: C1CCC(=O)C(C1)O
| PubChem CID | 10785 |
|---|---|
| CAS | 30282-14-5 |
| Molecular Weight (g/mol) | 114.144 |
| ChEBI | CHEBI:17878 |
| MDL Number | MFCD00151157 |
| SMILES | C1CCC(=O)C(C1)O |
| Synonym | 2-hydroxycyclohexanone,adipoin,2-hydroxy-1-cyclohexanone,cyclohexanone, 2-hydroxy,2-hydroxy-cyclohexanone,cyclohexanone, 2-hydroxy-, 2r,cyclohexanone, 2-hydroxy-, dimer,cyclohexanone, dimer,zlchem 1128,acmc-20n5uh |
| IUPAC Name | 2-hydroxycyclohexan-1-one |
| InChI Key | ODZTXUXIYGJLMC-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
m-Nitroacetophenone, 98%
CAS: 121-89-1 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.15 MDL Number: MFCD00007259 InChI Key: ARKIFHPFTHVKDT-UHFFFAOYSA-N Synonym: 3'-nitroacetophenone,3-nitroacetophenone,m-nitroacetophenone,1-3-nitrophenyl ethanone,ethanone, 1-3-nitrophenyl,acetophenone, 3'-nitro,m-acetylnitrobenzene,usaf ma-1,methyl 3-nitrophenyl ketone,3-nitroacetofenon PubChem CID: 8494 IUPAC Name: 1-(3-nitrophenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
| PubChem CID | 8494 |
|---|---|
| CAS | 121-89-1 |
| Molecular Weight (g/mol) | 165.15 |
| MDL Number | MFCD00007259 |
| SMILES | CC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
| Synonym | 3'-nitroacetophenone,3-nitroacetophenone,m-nitroacetophenone,1-3-nitrophenyl ethanone,ethanone, 1-3-nitrophenyl,acetophenone, 3'-nitro,m-acetylnitrobenzene,usaf ma-1,methyl 3-nitrophenyl ketone,3-nitroacetofenon |
| IUPAC Name | 1-(3-nitrophenyl)ethanone |
| InChI Key | ARKIFHPFTHVKDT-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3 |
p-Nitroacetophenone, 97%
CAS: 100-19-6 Molecular Formula: C8H7NO3 Molecular Weight (g/mol): 165.15 MDL Number: MFCD00007355 InChI Key: YQYGPGKTNQNXMH-UHFFFAOYSA-N Synonym: p-nitroacetophenone,4'-nitroacetophenone,4-nitroacetophenone,1-4-nitrophenyl ethanone,p-acetylnitrobenzene,paranitroacetophenone,p-nitrophenyl methyl ketone,1-4-nitrophenyl ethan-1-one,ethanone, 1-4-nitrophenyl,pnap PubChem CID: 7487 ChEBI: CHEBI:28735 IUPAC Name: 1-(4-nitrophenyl)ethanone SMILES: CC(=O)C1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 7487 |
|---|---|
| CAS | 100-19-6 |
| Molecular Weight (g/mol) | 165.15 |
| ChEBI | CHEBI:28735 |
| MDL Number | MFCD00007355 |
| SMILES | CC(=O)C1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | p-nitroacetophenone,4'-nitroacetophenone,4-nitroacetophenone,1-4-nitrophenyl ethanone,p-acetylnitrobenzene,paranitroacetophenone,p-nitrophenyl methyl ketone,1-4-nitrophenyl ethan-1-one,ethanone, 1-4-nitrophenyl,pnap |
| IUPAC Name | 1-(4-nitrophenyl)ethanone |
| InChI Key | YQYGPGKTNQNXMH-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3 |
| Linear Formula | OHC(CH2)3CHO |
|---|---|
| Molecular Weight (g/mol) | 100.12 |
| ChEBI | CHEBI:64276 |
| Physical Form | Solution |
| Chemical Name or Material | Glutaric dialdehyde |
| SMILES | O=CCCCC=O |
| Merck Index | 15, 4508 |
| InChI Key | SXRSQZLOMIGNAQ-UHFFFAOYSA-N |
| Density | 1.0600g/mL |
| Vapor Pressure | 16.4mmHg at 20°C |
| PubChem CID | 3485 |
| Fieser | 01,411 |
| CAS | 7732-18-5 |
| MDL Number | MFCD00007025 |
| pH | 3.2 to 4.2 |
| Synonym | glutaraldehyde,glutaral,glutaric dialdehyde,cidex,glutardialdehyde,1,5-pentanedial,sonacide,glutarol,aldesan,glutaric aldehyde |
| IUPAC Name | pentanedial |
| Beilstein | 01, 776 |
| Molecular Formula | C5H8O2 |
| Formula Weight | 100.12 |