Organooxygen compounds
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3-Mercapto-1,2-propanediol, 90 wt% aqueous solution
CAS: 96-27-5 Molecular Formula: C3H8O2S Molecular Weight (g/mol): 108.16 MDL Number: MFCD00004879 InChI Key: PJUIMOJAAPLTRJ-UHFFFAOYNA-N Synonym: 3-mercapto-1,2-propanediol,monothioglycerol,1-thioglycerol,thioglycerol,thioglycerine,thioglycerin,thiovanol,3-mercaptopropane-1,2-diol,alpha-thioglycerol,glycerol-1-thiol PubChem CID: 7291 ChEBI: CHEBI:74537 IUPAC Name: 3-sulfanylpropane-1,2-diol SMILES: OCC(O)CS
| PubChem CID | 7291 |
|---|---|
| CAS | 96-27-5 |
| Molecular Weight (g/mol) | 108.16 |
| ChEBI | CHEBI:74537 |
| MDL Number | MFCD00004879 |
| SMILES | OCC(O)CS |
| Synonym | 3-mercapto-1,2-propanediol,monothioglycerol,1-thioglycerol,thioglycerol,thioglycerine,thioglycerin,thiovanol,3-mercaptopropane-1,2-diol,alpha-thioglycerol,glycerol-1-thiol |
| IUPAC Name | 3-sulfanylpropane-1,2-diol |
| InChI Key | PJUIMOJAAPLTRJ-UHFFFAOYNA-N |
| Molecular Formula | C3H8O2S |
2-Methylanthraquinone, 97%
CAS: 84-54-8 Molecular Formula: C15H10O2 Molecular Weight (g/mol): 222.243 MDL Number: MFCD00001235 InChI Key: NJWGQARXZDRHCD-UHFFFAOYSA-N Synonym: 2-methylanthraquinone,tectoquinone,2-methyl anthraquinone,techtoquinone,tectochinon,2-methyl-9,10-anthraquinone,9,10-anthracenedione, 2-methyl,beta-methylanthraquinone,2-methylanthra-9,10-quinone,anthraquinone, 2-methyl PubChem CID: 6773 ChEBI: CHEBI:9427 IUPAC Name: 2-methylanthracene-9,10-dione SMILES: CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
| PubChem CID | 6773 |
|---|---|
| CAS | 84-54-8 |
| Molecular Weight (g/mol) | 222.243 |
| ChEBI | CHEBI:9427 |
| MDL Number | MFCD00001235 |
| SMILES | CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O |
| Synonym | 2-methylanthraquinone,tectoquinone,2-methyl anthraquinone,techtoquinone,tectochinon,2-methyl-9,10-anthraquinone,9,10-anthracenedione, 2-methyl,beta-methylanthraquinone,2-methylanthra-9,10-quinone,anthraquinone, 2-methyl |
| IUPAC Name | 2-methylanthracene-9,10-dione |
| InChI Key | NJWGQARXZDRHCD-UHFFFAOYSA-N |
| Molecular Formula | C15H10O2 |
Aminoacetaldehyde Diethyl Acetal, 99%
CAS: 645-36-3 Molecular Formula: C6H15NO2 Molecular Weight (g/mol): 133.19 MDL Number: MFCD00008136 InChI Key: HJKLEAOXCZIMPI-UHFFFAOYSA-N Synonym: 2,2-diethoxyethylamine,aminoacetaldehyde diethyl acetal,ethanamine, 2,2-diethoxy,2,2-diethoxyethan-1-amine,2-aminoacetaldehyde diethyl acetal,glycinaldehyde diethyl acetal,aminoacetal,diethoxyethylamine,acetaldehyde, amino-, diethyl acetal,aminoacetaldehydediethylacetal PubChem CID: 69524 IUPAC Name: 2,2-diethoxyethanamine SMILES: CCOC(CN)OCC
| PubChem CID | 69524 |
|---|---|
| CAS | 645-36-3 |
| Molecular Weight (g/mol) | 133.19 |
| MDL Number | MFCD00008136 |
| SMILES | CCOC(CN)OCC |
| Synonym | 2,2-diethoxyethylamine,aminoacetaldehyde diethyl acetal,ethanamine, 2,2-diethoxy,2,2-diethoxyethan-1-amine,2-aminoacetaldehyde diethyl acetal,glycinaldehyde diethyl acetal,aminoacetal,diethoxyethylamine,acetaldehyde, amino-, diethyl acetal,aminoacetaldehydediethylacetal |
| IUPAC Name | 2,2-diethoxyethanamine |
| InChI Key | HJKLEAOXCZIMPI-UHFFFAOYSA-N |
| Molecular Formula | C6H15NO2 |
Tetraethyleneglycol monomethyl ether, 98%
CAS: 23783-42-8 Molecular Formula: C9H20O5 Molecular Weight (g/mol): 208.254 MDL Number: MFCD00041756 InChI Key: ZNYRFEPBTVGZDN-UHFFFAOYSA-N Synonym: 2,5,8,11-tetraoxatridecan-13-ol,tetraethylene glycol monomethyl ether,tetraethyleneglycol monomethyl ether,3,6,9,12-tetraoxatridecan-1-ol,methyl tetraglycol,tetraethyleneglycol monomethylether,mpeg4-oh,2-2-2-2-methoxy-ethoxy-ethoxy-ethoxy-ethanol,2-2-2-2-methoxyethoxy ethoxy ethoxy ethanol,m-peg4-alcohol PubChem CID: 90263 IUPAC Name: 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol SMILES: COCCOCCOCCOCCO
| PubChem CID | 90263 |
|---|---|
| CAS | 23783-42-8 |
| Molecular Weight (g/mol) | 208.254 |
| MDL Number | MFCD00041756 |
| SMILES | COCCOCCOCCOCCO |
| Synonym | 2,5,8,11-tetraoxatridecan-13-ol,tetraethylene glycol monomethyl ether,tetraethyleneglycol monomethyl ether,3,6,9,12-tetraoxatridecan-1-ol,methyl tetraglycol,tetraethyleneglycol monomethylether,mpeg4-oh,2-2-2-2-methoxy-ethoxy-ethoxy-ethoxy-ethanol,2-2-2-2-methoxyethoxy ethoxy ethoxy ethanol,m-peg4-alcohol |
| IUPAC Name | 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol |
| InChI Key | ZNYRFEPBTVGZDN-UHFFFAOYSA-N |
| Molecular Formula | C9H20O5 |
Ether, Preserved with about 2% Alcohol, 0.2% max Water and 7ppm min BHT, U.S.P., J.T. Baker™
CAS: 60-29-7 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.12 MDL Number: MFCD00011646 InChI Key: RTZKZFJDLAIYFH-UHFFFAOYSA-N Synonym: diethyl ether,ether,ethyl ether,diethyl oxide,ethyl oxide,aether,pronarcol,anesthetic ether,3-oxapentane,anaesthetic ether PubChem CID: 3283 ChEBI: CHEBI:35702 IUPAC Name: ethoxyethane SMILES: CCOCC
| PubChem CID | 3283 |
|---|---|
| CAS | 60-29-7 |
| Molecular Weight (g/mol) | 74.12 |
| ChEBI | CHEBI:35702 |
| MDL Number | MFCD00011646 |
| SMILES | CCOCC |
| Synonym | diethyl ether,ether,ethyl ether,diethyl oxide,ethyl oxide,aether,pronarcol,anesthetic ether,3-oxapentane,anaesthetic ether |
| IUPAC Name | ethoxyethane |
| InChI Key | RTZKZFJDLAIYFH-UHFFFAOYSA-N |
| Molecular Formula | C4H10O |
10-Bromo-1-decanol, 95%
CAS: 53463-68-6 Molecular Formula: C10H21BrO Molecular Weight (g/mol): 237.18 MDL Number: MFCD00041681 InChI Key: LGZMUUBPTDRQQM-UHFFFAOYSA-N Synonym: 10-bromo-1-decanol,10-bromodecanol,1-decanol, 10-bromo,10-hydroxy-1-bromo decane,1-bromodecan-10-ol,10-bromodecane-1-ol,10-bromo-decan-1-ol,decamethylene bromohydrin,10-hydroxy1-bromo decane,acmc-209l7p PubChem CID: 104507 IUPAC Name: 10-bromodecan-1-ol SMILES: OCCCCCCCCCCBr
| PubChem CID | 104507 |
|---|---|
| CAS | 53463-68-6 |
| Molecular Weight (g/mol) | 237.18 |
| MDL Number | MFCD00041681 |
| SMILES | OCCCCCCCCCCBr |
| Synonym | 10-bromo-1-decanol,10-bromodecanol,1-decanol, 10-bromo,10-hydroxy-1-bromo decane,1-bromodecan-10-ol,10-bromodecane-1-ol,10-bromo-decan-1-ol,decamethylene bromohydrin,10-hydroxy1-bromo decane,acmc-209l7p |
| IUPAC Name | 10-bromodecan-1-ol |
| InChI Key | LGZMUUBPTDRQQM-UHFFFAOYSA-N |
| Molecular Formula | C10H21BrO |
1-Bromo-2-butanone, tech. 90%, stab. with calcium carbonate, Thermo Scientific Chemicals
CAS: 816-40-0 Molecular Formula: C4H7BrO Molecular Weight (g/mol): 151.003 MDL Number: MFCD00000207 InChI Key: CCXQVBSQUQCEEO-UHFFFAOYSA-N Synonym: 1-bromo-2-butanone,2-butanone, 1-bromo,1-bromobutanone,bromomethyl ethyl ketone,bromobutanone,bromobutan-2-one,l-bromo-2-butanone,acmc-20aoxd,1-bromo-butan-2-one PubChem CID: 13156 IUPAC Name: 1-bromobutan-2-one SMILES: CCC(=O)CBr
| PubChem CID | 13156 |
|---|---|
| CAS | 816-40-0 |
| Molecular Weight (g/mol) | 151.003 |
| MDL Number | MFCD00000207 |
| SMILES | CCC(=O)CBr |
| Synonym | 1-bromo-2-butanone,2-butanone, 1-bromo,1-bromobutanone,bromomethyl ethyl ketone,bromobutanone,bromobutan-2-one,l-bromo-2-butanone,acmc-20aoxd,1-bromo-butan-2-one |
| IUPAC Name | 1-bromobutan-2-one |
| InChI Key | CCXQVBSQUQCEEO-UHFFFAOYSA-N |
| Molecular Formula | C4H7BrO |
1,3-Indanedione, 97%
CAS: 606-23-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.15 InChI Key: UHKAJLSKXBADFT-UHFFFAOYSA-N Synonym: 1,3-indanedione,1,3-indandione,1h-indene-1,3 2h-dione,1,3-diketohydrindene,indan-1,3-dione,1,3-indanone,indane-1,3-dione,diketohydrindene,1,3-indandion,unii-4djn7yg35g PubChem CID: 11815 ChEBI: CHEBI:78877 IUPAC Name: indene-1,3-dione SMILES: C1C(=O)C2=CC=CC=C2C1=O
| PubChem CID | 11815 |
|---|---|
| CAS | 606-23-5 |
| Molecular Weight (g/mol) | 146.15 |
| ChEBI | CHEBI:78877 |
| SMILES | C1C(=O)C2=CC=CC=C2C1=O |
| Synonym | 1,3-indanedione,1,3-indandione,1h-indene-1,3 2h-dione,1,3-diketohydrindene,indan-1,3-dione,1,3-indanone,indane-1,3-dione,diketohydrindene,1,3-indandion,unii-4djn7yg35g |
| IUPAC Name | indene-1,3-dione |
| InChI Key | UHKAJLSKXBADFT-UHFFFAOYSA-N |
| Molecular Formula | C9H6O2 |
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 |
5-Fluoro-1-indanone, 98%, Thermo Scientific™
CAS: 700-84-5 Molecular Formula: C9H7FO Molecular Weight (g/mol): 150.15 MDL Number: MFCD00041031 InChI Key: WVPPBVAMKNQXJA-UHFFFAOYSA-N Synonym: 5-fluoro-1-indanone,5-fluoro-2,3-dihydro-1h-inden-1-one,5-fluoroindan-1-one,1h-inden-1-one, 5-fluoro-2,3-dihydro,2,3-dihydro-5-fluoro-1h-inden-1-one,5-fluoroindanone,5-fluoro indanone,pubchem2388,5-flouro-1-indanone,pubchem13785 PubChem CID: 136537 SMILES: FC1=CC=C2C(=O)CCC2=C1
| PubChem CID | 136537 |
|---|---|
| CAS | 700-84-5 |
| Molecular Weight (g/mol) | 150.15 |
| MDL Number | MFCD00041031 |
| SMILES | FC1=CC=C2C(=O)CCC2=C1 |
| Synonym | 5-fluoro-1-indanone,5-fluoro-2,3-dihydro-1h-inden-1-one,5-fluoroindan-1-one,1h-inden-1-one, 5-fluoro-2,3-dihydro,2,3-dihydro-5-fluoro-1h-inden-1-one,5-fluoroindanone,5-fluoro indanone,pubchem2388,5-flouro-1-indanone,pubchem13785 |
| InChI Key | WVPPBVAMKNQXJA-UHFFFAOYSA-N |
| Molecular Formula | C9H7FO |
3-bromopropionaldehyde dimethylacetal, 95%, Thermo Scientific Chemicals
CAS: 36255-44-4 Molecular Formula: C5H11BrO2 Molecular Weight (g/mol): 183.045 MDL Number: MFCD00013245 InChI Key: ODZZAIFAQLODKN-UHFFFAOYSA-N Synonym: 3-bromopropionaldehyde dimethyl acetal,1-bromo-3,3-dimethoxypropane,propane, 3-bromo-1,1-dimethoxy,3-bromo-1,1-dimethoxy-propane,acmc-209ilq,3,3-dimethoxypropyl bromide,3-bromopropanal dimethylacetal,ksc495q3l,3-bromo-1,1dimethoxy-propane,1,1-dimethoxy-3-bromopropane PubChem CID: 118932 IUPAC Name: 3-bromo-1,1-dimethoxypropane SMILES: COC(CCBr)OC
| PubChem CID | 118932 |
|---|---|
| CAS | 36255-44-4 |
| Molecular Weight (g/mol) | 183.045 |
| MDL Number | MFCD00013245 |
| SMILES | COC(CCBr)OC |
| Synonym | 3-bromopropionaldehyde dimethyl acetal,1-bromo-3,3-dimethoxypropane,propane, 3-bromo-1,1-dimethoxy,3-bromo-1,1-dimethoxy-propane,acmc-209ilq,3,3-dimethoxypropyl bromide,3-bromopropanal dimethylacetal,ksc495q3l,3-bromo-1,1dimethoxy-propane,1,1-dimethoxy-3-bromopropane |
| IUPAC Name | 3-bromo-1,1-dimethoxypropane |
| InChI Key | ODZZAIFAQLODKN-UHFFFAOYSA-N |
| Molecular Formula | C5H11BrO2 |
1-Benzoylacetone, 98%
CAS: 93-91-4 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00008786 InChI Key: CVBUKMMMRLOKQR-UHFFFAOYSA-N Synonym: benzoylacetone,1-phenyl-1,3-butanedione,1-benzoylacetone,1,3-butanedione, 1-phenyl,1-benzoyl-2-propanone,acetoacetophenone,2-propanone, benzoyl,acetylbenzoylmethane,2-acetylacetophenone,benzoyl-aceton PubChem CID: 7166 IUPAC Name: 1-phenylbutane-1,3-dione SMILES: CC(=O)CC(=O)C1=CC=CC=C1
| PubChem CID | 7166 |
|---|---|
| CAS | 93-91-4 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00008786 |
| SMILES | CC(=O)CC(=O)C1=CC=CC=C1 |
| Synonym | benzoylacetone,1-phenyl-1,3-butanedione,1-benzoylacetone,1,3-butanedione, 1-phenyl,1-benzoyl-2-propanone,acetoacetophenone,2-propanone, benzoyl,acetylbenzoylmethane,2-acetylacetophenone,benzoyl-aceton |
| IUPAC Name | 1-phenylbutane-1,3-dione |
| InChI Key | CVBUKMMMRLOKQR-UHFFFAOYSA-N |
| Molecular Formula | C10H10O2 |
2-chloropyrimidine-5-carboxaldehyde, 97%
CAS: 933702-55-7 Molecular Formula: C5H3ClN2O Molecular Weight (g/mol): 142.54 MDL Number: MFCD10696891 InChI Key: LJYQVOPFBNMTKJ-UHFFFAOYSA-N Synonym: 2-chloropyrimidine-5-carboxyaldehyde,2-chloropyrimidine-5-carboxaldehyde,2-chloro-5-pyrimidinecarboxaldehyde,pubchem23896,2-chloro-5-formyl pyrimidine,chloropyrimidine-5-carbaldehyde,2-chloro-pyrimidine-5-carbaldehyde,2-chloranylpyrimidine-5-carbaldehyde,5-pyrimidinecarboxaldehyde, 2-chloro PubChem CID: 21698350 IUPAC Name: 2-chloropyrimidine-5-carbaldehyde SMILES: ClC1=NC=C(C=O)C=N1
| PubChem CID | 21698350 |
|---|---|
| CAS | 933702-55-7 |
| Molecular Weight (g/mol) | 142.54 |
| MDL Number | MFCD10696891 |
| SMILES | ClC1=NC=C(C=O)C=N1 |
| Synonym | 2-chloropyrimidine-5-carboxyaldehyde,2-chloropyrimidine-5-carboxaldehyde,2-chloro-5-pyrimidinecarboxaldehyde,pubchem23896,2-chloro-5-formyl pyrimidine,chloropyrimidine-5-carbaldehyde,2-chloro-pyrimidine-5-carbaldehyde,2-chloranylpyrimidine-5-carbaldehyde,5-pyrimidinecarboxaldehyde, 2-chloro |
| IUPAC Name | 2-chloropyrimidine-5-carbaldehyde |
| InChI Key | LJYQVOPFBNMTKJ-UHFFFAOYSA-N |
| Molecular Formula | C5H3ClN2O |
Octanophenone, 98%
CAS: 1674-37-9 Molecular Formula: C14H20O Molecular Weight (g/mol): 204.31 MDL Number: MFCD00003554 InChI Key: UDEVCZRUNOLVLU-UHFFFAOYSA-N Synonym: octanophenone,heptyl phenyl ketone,1-octanone, 1-phenyl,caprylophenone,n-octanophenone,ketone, heptyl phenyl,4-n-butylbutyrophenone,1-phenyl-octan-1-one,acmc-1axlq PubChem CID: 74291 IUPAC Name: 1-phenyloctan-1-one SMILES: CCCCCCCC(=O)C1=CC=CC=C1
| PubChem CID | 74291 |
|---|---|
| CAS | 1674-37-9 |
| Molecular Weight (g/mol) | 204.31 |
| MDL Number | MFCD00003554 |
| SMILES | CCCCCCCC(=O)C1=CC=CC=C1 |
| Synonym | octanophenone,heptyl phenyl ketone,1-octanone, 1-phenyl,caprylophenone,n-octanophenone,ketone, heptyl phenyl,4-n-butylbutyrophenone,1-phenyl-octan-1-one,acmc-1axlq |
| IUPAC Name | 1-phenyloctan-1-one |
| InChI Key | UDEVCZRUNOLVLU-UHFFFAOYSA-N |
| Molecular Formula | C14H20O |
4'-Aminoacetophenone, 99%
CAS: 99-92-3 Molecular Formula: C8H9NO Molecular Weight (g/mol): 135.17 MDL Number: MFCD00007896 InChI Key: GPRYKVSEZCQIHD-UHFFFAOYSA-N Synonym: 4'-aminoacetophenone,4-aminoacetophenone,1-4-aminophenyl ethanone,p-aminoacetophenone,4-acetylaniline,p-acetylaniline,ethanone, 1-4-aminophenyl,p-aminoacetylbenzene,1-4-aminophenyl ethan-1-one,acetophenone, p-amino PubChem CID: 7468 IUPAC Name: 1-(4-aminophenyl)ethanone SMILES: CC(=O)C1=CC=C(N)C=C1
| PubChem CID | 7468 |
|---|---|
| CAS | 99-92-3 |
| Molecular Weight (g/mol) | 135.17 |
| MDL Number | MFCD00007896 |
| SMILES | CC(=O)C1=CC=C(N)C=C1 |
| Synonym | 4'-aminoacetophenone,4-aminoacetophenone,1-4-aminophenyl ethanone,p-aminoacetophenone,4-acetylaniline,p-acetylaniline,ethanone, 1-4-aminophenyl,p-aminoacetylbenzene,1-4-aminophenyl ethan-1-one,acetophenone, p-amino |
| IUPAC Name | 1-(4-aminophenyl)ethanone |
| InChI Key | GPRYKVSEZCQIHD-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO |