Organooxygen compounds
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Ethyl acetoacetate, 99+%
CAS: 141-97-9 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 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) | 130.143 |
| 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 |
Glutaraldehyde, 50% aq. soln.
CAS: 111-30-8 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00007025 InChI Key: SXRSQZLOMIGNAQ-UHFFFAOYSA-N Synonym: glutaraldehyde,glutaral,glutaric dialdehyde,cidex,glutardialdehyde,1,5-pentanedial,sonacide,glutarol,aldesan,glutaric aldehyde PubChem CID: 3485 ChEBI: CHEBI:64276 IUPAC Name: pentanedial SMILES: O=CCCCC=O
| PubChem CID | 3485 |
|---|---|
| CAS | 111-30-8 |
| Molecular Weight (g/mol) | 100.12 |
| ChEBI | CHEBI:64276 |
| MDL Number | MFCD00007025 |
| SMILES | O=CCCCC=O |
| Synonym | glutaraldehyde,glutaral,glutaric dialdehyde,cidex,glutardialdehyde,1,5-pentanedial,sonacide,glutarol,aldesan,glutaric aldehyde |
| IUPAC Name | pentanedial |
| InChI Key | SXRSQZLOMIGNAQ-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
Propylene Glycol, MP Biomedicals
CAS: 57-55-6 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.095 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 |
| 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 |
Acetaldehyde, 99.5%, extra pure, AcroSeal™
CAS: 75-07-0 Molecular Formula: C2H4O Molecular Weight (g/mol): 44.04 MDL Number: MFCD00006991 InChI Key: IKHGUXGNUITLKF-UHFFFAOYSA-N Synonym: ethanal,acetic aldehyde,ethyl aldehyde,acetaldehyd,acetylaldehyde,aldehyde,acetic ethanol,aldeide acetica,octowy aldehyd,aldehyde acetique PubChem CID: 177 ChEBI: CHEBI:15343 IUPAC Name: acetaldehyde SMILES: CC=O
| PubChem CID | 177 |
|---|---|
| CAS | 75-07-0 |
| Molecular Weight (g/mol) | 44.04 |
| ChEBI | CHEBI:15343 |
| MDL Number | MFCD00006991 |
| SMILES | CC=O |
| Synonym | ethanal,acetic aldehyde,ethyl aldehyde,acetaldehyd,acetylaldehyde,aldehyde,acetic ethanol,aldeide acetica,octowy aldehyd,aldehyde acetique |
| IUPAC Name | acetaldehyde |
| InChI Key | IKHGUXGNUITLKF-UHFFFAOYSA-N |
| Molecular Formula | C2H4O |
Diethylene glycol, 99%
CAS: 111-46-6 Molecular Formula: C4H10O3 Molecular Weight (g/mol): 106.12 MDL Number: MFCD00002882 InChI Key: MTHSVFCYNBDYFN-UHFFFAOYSA-N Synonym: diethylene glycol,2,2'-oxydiethanol,diglycol,diethylenglykol,2-hydroxyethyl ether,bis 2-hydroxyethyl ether,ethanol, 2,2'-oxybis,2,2'-oxybisethanol,2-2-hydroxyethoxy ethanol,digol PubChem CID: 8117 ChEBI: CHEBI:46807 SMILES: OCCOCCO
| PubChem CID | 8117 |
|---|---|
| CAS | 111-46-6 |
| Molecular Weight (g/mol) | 106.12 |
| ChEBI | CHEBI:46807 |
| MDL Number | MFCD00002882 |
| SMILES | OCCOCCO |
| Synonym | diethylene glycol,2,2'-oxydiethanol,diglycol,diethylenglykol,2-hydroxyethyl ether,bis 2-hydroxyethyl ether,ethanol, 2,2'-oxybis,2,2'-oxybisethanol,2-2-hydroxyethoxy ethanol,digol |
| InChI Key | MTHSVFCYNBDYFN-UHFFFAOYSA-N |
| Molecular Formula | C4H10O3 |
Ninhydrin, 99%
CAS: 485-47-2 Molecular Formula: C9H6O4 Molecular Weight (g/mol): 178.143 MDL Number: MFCD00003791 InChI Key: FEMOMIGRRWSMCU-UHFFFAOYSA-N Synonym: ninhydrin,ninhydrin hydrate,1,2,3-indantrione monohydrate,ninhydrine,2,2-dihydroxy-1h-indene-1,3 2h-dione,2,2-dihydroxy-1,3-indandione,triketohydrindene hydrate,1h-indene-1,3 2h-dione, 2,2-dihydroxy,1,2,3-indantrione, 2-hydrate,2,2-dihydroxyindane-1,3-dione PubChem CID: 10236 ChEBI: CHEBI:86374 IUPAC Name: 2,2-dihydroxyindene-1,3-dione SMILES: C1=CC=C2C(=C1)C(=O)C(C2=O)(O)O
| PubChem CID | 10236 |
|---|---|
| CAS | 485-47-2 |
| Molecular Weight (g/mol) | 178.143 |
| ChEBI | CHEBI:86374 |
| MDL Number | MFCD00003791 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(C2=O)(O)O |
| Synonym | ninhydrin,ninhydrin hydrate,1,2,3-indantrione monohydrate,ninhydrine,2,2-dihydroxy-1h-indene-1,3 2h-dione,2,2-dihydroxy-1,3-indandione,triketohydrindene hydrate,1h-indene-1,3 2h-dione, 2,2-dihydroxy,1,2,3-indantrione, 2-hydrate,2,2-dihydroxyindane-1,3-dione |
| IUPAC Name | 2,2-dihydroxyindene-1,3-dione |
| InChI Key | FEMOMIGRRWSMCU-UHFFFAOYSA-N |
| Molecular Formula | C9H6O4 |
Cyclohexanol, 98%
CAS: 108-93-0 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.16 InChI Key: HPXRVTGHNJAIIH-UHFFFAOYSA-N Synonym: cyclohexyl alcohol,hexahydrophenol,hydrophenol,hydroxycyclohexane,hexalin,1-cyclohexanol,hydralin,adronal,naxol,adronol PubChem CID: 7966 ChEBI: CHEBI:18099 IUPAC Name: cyclohexanol SMILES: C1CCC(CC1)O
| PubChem CID | 7966 |
|---|---|
| CAS | 108-93-0 |
| Molecular Weight (g/mol) | 100.16 |
| ChEBI | CHEBI:18099 |
| SMILES | C1CCC(CC1)O |
| Synonym | cyclohexyl alcohol,hexahydrophenol,hydrophenol,hydroxycyclohexane,hexalin,1-cyclohexanol,hydralin,adronal,naxol,adronol |
| IUPAC Name | cyclohexanol |
| InChI Key | HPXRVTGHNJAIIH-UHFFFAOYSA-N |
| Molecular Formula | C6H12O |
Phorbol 12-myristate 13-acetate, 95%
CAS: 16561-29-8 Molecular Formula: C36H56O8 Molecular Weight (g/mol): 616.84 MDL Number: MFCD00036736 InChI Key: PHEDXBVPIONUQT-RGYGYFBISA-N Synonym: phorbol 12-myristate 13-acetate,phorbol ester,12-o-tetradecanoylphorbol-13-acetate,12-o-tetradecanoylphorbol 13-acetate,factor a1,tetradecanoylphorbol acetate,12-tetradecanoylphorbol 13-acetate,factor a1 croton oil,phorbol 13-acetate 12-myristate,phorbol-12-myristate-13-acetate PubChem CID: 27924 ChEBI: CHEBI:37537 IUPAC Name: (1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
| PubChem CID | 27924 |
|---|---|
| CAS | 16561-29-8 |
| Molecular Weight (g/mol) | 616.84 |
| ChEBI | CHEBI:37537 |
| MDL Number | MFCD00036736 |
| SMILES | CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O |
| Synonym | phorbol 12-myristate 13-acetate,phorbol ester,12-o-tetradecanoylphorbol-13-acetate,12-o-tetradecanoylphorbol 13-acetate,factor a1,tetradecanoylphorbol acetate,12-tetradecanoylphorbol 13-acetate,factor a1 croton oil,phorbol 13-acetate 12-myristate,phorbol-12-myristate-13-acetate |
| IUPAC Name | (1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl tetradecanoate |
| InChI Key | PHEDXBVPIONUQT-RGYGYFBISA-N |
| Molecular Formula | C36H56O8 |
Phorbol 12-myristate 13-acetate, 97%
CAS: 16561-29-8 Molecular Formula: C36H56O8 Molecular Weight (g/mol): 616.84 MDL Number: MFCD00036736 InChI Key: PHEDXBVPIONUQT-RGYGYFBISA-N Synonym: phorbol 12-myristate 13-acetate,phorbol ester,12-o-tetradecanoylphorbol-13-acetate,12-o-tetradecanoylphorbol 13-acetate,factor a1,tetradecanoylphorbol acetate,12-tetradecanoylphorbol 13-acetate,factor a1 croton oil,phorbol 13-acetate 12-myristate,phorbol-12-myristate-13-acetate PubChem CID: 27924 ChEBI: CHEBI:37537 IUPAC Name: (1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O
| PubChem CID | 27924 |
|---|---|
| CAS | 16561-29-8 |
| Molecular Weight (g/mol) | 616.84 |
| ChEBI | CHEBI:37537 |
| MDL Number | MFCD00036736 |
| SMILES | CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(C)=O |
| Synonym | phorbol 12-myristate 13-acetate,phorbol ester,12-o-tetradecanoylphorbol-13-acetate,12-o-tetradecanoylphorbol 13-acetate,factor a1,tetradecanoylphorbol acetate,12-tetradecanoylphorbol 13-acetate,factor a1 croton oil,phorbol 13-acetate 12-myristate,phorbol-12-myristate-13-acetate |
| IUPAC Name | (1S,2S,6R,10S,11R,13S,14R,15R)-13-(acetyloxy)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.0²,⁶.0¹¹,¹³]pentadeca-3,8-dien-14-yl tetradecanoate |
| InChI Key | PHEDXBVPIONUQT-RGYGYFBISA-N |
| Molecular Formula | C36H56O8 |
Vanillin, 99%, pure
CAS: 121-33-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00006942,MFCD08702848 InChI Key: MWOOGOJBHIARFG-UHFFFAOYSA-N Synonym: vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde PubChem CID: 1183 ChEBI: CHEBI:18346 IUPAC Name: 4-hydroxy-3-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1O
| PubChem CID | 1183 |
|---|---|
| CAS | 121-33-5 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:18346 |
| MDL Number | MFCD00006942,MFCD08702848 |
| SMILES | COC1=CC(C=O)=CC=C1O |
| Synonym | vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde |
| IUPAC Name | 4-hydroxy-3-methoxybenzaldehyde |
| InChI Key | MWOOGOJBHIARFG-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Salicylaldehyde, 99%
CAS: 90-02-8 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 MDL Number: MFCD00003317 InChI Key: SMQUZDBALVYZAC-UHFFFAOYSA-N Synonym: salicylaldehyde,o-hydroxybenzaldehyde,o-formylphenol,salicylal,2-formylphenol,benzaldehyde, 2-hydroxy,salicylic aldehyde,salicyladehyde,2-hydroxy-benzaldehyde,benzaldehyde, o-hydroxy PubChem CID: 6998 ChEBI: CHEBI:16008 IUPAC Name: 2-hydroxybenzaldehyde SMILES: OC1=CC=CC=C1C=O
| PubChem CID | 6998 |
|---|---|
| CAS | 90-02-8 |
| Molecular Weight (g/mol) | 122.12 |
| ChEBI | CHEBI:16008 |
| MDL Number | MFCD00003317 |
| SMILES | OC1=CC=CC=C1C=O |
| Synonym | salicylaldehyde,o-hydroxybenzaldehyde,o-formylphenol,salicylal,2-formylphenol,benzaldehyde, 2-hydroxy,salicylic aldehyde,salicyladehyde,2-hydroxy-benzaldehyde,benzaldehyde, o-hydroxy |
| IUPAC Name | 2-hydroxybenzaldehyde |
| InChI Key | SMQUZDBALVYZAC-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |
Riboflavin, 98%
CAS: 83-88-5 Molecular Formula: C17H20N4O6 Molecular Weight (g/mol): 376.37 MDL Number: MFCD00005022 InChI Key: AUNGANRZJHBGPY-QTZZOOGMNA-N Synonym: riboflavin,vitamin b2,lactoflavin,riboflavine,vitamin g,lactoflavine,--riboflavin,beflavin,beflavine,flavaxin PubChem CID: 71310809 IUPAC Name: 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]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
| PubChem CID | 71310809 |
|---|---|
| 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 | riboflavin,vitamin b2,lactoflavin,riboflavine,vitamin g,lactoflavine,--riboflavin,beflavin,beflavine,flavaxin |
| IUPAC Name | 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione |
| InChI Key | AUNGANRZJHBGPY-QTZZOOGMNA-N |
| Molecular Formula | C17H20N4O6 |
Malonic acid, 99%
CAS: 141-82-2 Molecular Formula: C3H4O4 Molecular Weight (g/mol): 104.061 MDL Number: MFCD00002707 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 |
| MDL Number | MFCD00002707 |
| 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 |
(±)-1,3-Butanediol, 99%, extra pure
CAS: 107-88-0 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.12 MDL Number: MFCD00004554 InChI Key: PUPZLCDOIYMWBV-UHFFFAOYSA-N Synonym: 1,3-butanediol,1,3-butylene glycol,1,3-dihydroxybutane,methyltrimethylene glycol,1,3-butandiol,1-methyl-1,3-propanediol,beta-butylene glycol,1,3 butylene glycol,1,3-butylenglykol,rs-1,3-butandiol PubChem CID: 7896 ChEBI: CHEBI:52683 IUPAC Name: butane-1,3-diol SMILES: CC(CCO)O
| PubChem CID | 7896 |
|---|---|
| CAS | 107-88-0 |
| Molecular Weight (g/mol) | 90.12 |
| ChEBI | CHEBI:52683 |
| MDL Number | MFCD00004554 |
| SMILES | CC(CCO)O |
| Synonym | 1,3-butanediol,1,3-butylene glycol,1,3-dihydroxybutane,methyltrimethylene glycol,1,3-butandiol,1-methyl-1,3-propanediol,beta-butylene glycol,1,3 butylene glycol,1,3-butylenglykol,rs-1,3-butandiol |
| IUPAC Name | butane-1,3-diol |
| InChI Key | PUPZLCDOIYMWBV-UHFFFAOYSA-N |
| Molecular Formula | C4H10O2 |
2-Mercaptoethanol Molecular Biology MP Biomedicals
CAS: 60-24-2 Molecular Formula: C2H6OS Molecular Weight (g/mol): 78.13 MDL Number: MFCD00004890 InChI Key: DGVVWUTYPXICAM-UHFFFAOYSA-N Synonym: 2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan PubChem CID: 1567 ChEBI: CHEBI:41218 IUPAC Name: 2-sulfanylethan-1-ol SMILES: OCCS
| PubChem CID | 1567 |
|---|---|
| CAS | 60-24-2 |
| Molecular Weight (g/mol) | 78.13 |
| ChEBI | CHEBI:41218 |
| MDL Number | MFCD00004890 |
| SMILES | OCCS |
| Synonym | 2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan |
| IUPAC Name | 2-sulfanylethan-1-ol |
| InChI Key | DGVVWUTYPXICAM-UHFFFAOYSA-N |
| Molecular Formula | C2H6OS |