Organooxygen compounds
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2-(2-n-Butoxyethoxy)ethyl acetate, 98%
CAS: 124-17-4 Molecular Formula: C10H20O4 Molecular Weight (g/mol): 204.266 MDL Number: MFCD00009458 InChI Key: VXQBJTKSVGFQOL-UHFFFAOYSA-N Synonym: 2-2-butoxyethoxy ethyl acetate,butoxyethoxyethyl acetate,diethylene glycol monobutyl ether acetate,butyl diglycol acetate,butyl carbitol acetate,ektasolve db acetate,2-2-butoxyethoxy ethanol acetate,butyl diethylene glycol acetate,butylkarbitolacetat,diglycol monobutyl ether acetate PubChem CID: 31288 IUPAC Name: 2-(2-butoxyethoxy)ethyl acetate SMILES: CCCCOCCOCCOC(=O)C
| PubChem CID | 31288 |
|---|---|
| CAS | 124-17-4 |
| Molecular Weight (g/mol) | 204.266 |
| MDL Number | MFCD00009458 |
| SMILES | CCCCOCCOCCOC(=O)C |
| Synonym | 2-2-butoxyethoxy ethyl acetate,butoxyethoxyethyl acetate,diethylene glycol monobutyl ether acetate,butyl diglycol acetate,butyl carbitol acetate,ektasolve db acetate,2-2-butoxyethoxy ethanol acetate,butyl diethylene glycol acetate,butylkarbitolacetat,diglycol monobutyl ether acetate |
| IUPAC Name | 2-(2-butoxyethoxy)ethyl acetate |
| InChI Key | VXQBJTKSVGFQOL-UHFFFAOYSA-N |
| Molecular Formula | C10H20O4 |
Ninhydrin,, MilliporeSigma™
CAS: 485-47-2 Molecular Formula: C9H6O4 Molecular Weight (g/mol): 178.143 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 |
| 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 |
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 |
15-Crown-5, 98%
CAS: 33100-27-5 Molecular Formula: C10H20O5 Molecular Weight (g/mol): 220.265 MDL Number: MFCD00005110 InChI Key: VFTFKUDGYRBSAL-UHFFFAOYSA-N Synonym: 15-crown-5,15-crown-5 ether,15-crown 5-ether,1,4,10,13-pentaoxacyclopentadecane,ccris 3586,15-crown 5,crown ether 15-crown-5,5-19-12-00252 beilstein handbook reference,ksc917c1b PubChem CID: 36336 ChEBI: CHEBI:32401 IUPAC Name: 1,4,7,10,13-pentaoxacyclopentadecane SMILES: C1COCCOCCOCCOCCO1
| PubChem CID | 36336 |
|---|---|
| CAS | 33100-27-5 |
| Molecular Weight (g/mol) | 220.265 |
| ChEBI | CHEBI:32401 |
| MDL Number | MFCD00005110 |
| SMILES | C1COCCOCCOCCOCCO1 |
| Synonym | 15-crown-5,15-crown-5 ether,15-crown 5-ether,1,4,10,13-pentaoxacyclopentadecane,ccris 3586,15-crown 5,crown ether 15-crown-5,5-19-12-00252 beilstein handbook reference,ksc917c1b |
| IUPAC Name | 1,4,7,10,13-pentaoxacyclopentadecane |
| InChI Key | VFTFKUDGYRBSAL-UHFFFAOYSA-N |
| Molecular Formula | C10H20O5 |
Bis(2-methoxyethyl) ether, 99%, extra pure
CAS: 111-96-6 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.18 InChI Key: SBZXBUIDTXKZTM-UHFFFAOYSA-N Synonym: diglyme,bis 2-methoxyethyl ether,2-methoxyethyl ether,1-methoxy-2-2-methoxyethoxy ethane,diethylene glycol dimethyl ether,poly-solv,di 2-methoxyethyl ether,dimethyl carbitol,2,5,8-trioxanonane PubChem CID: 8150 ChEBI: CHEBI:46784 IUPAC Name: 1-methoxy-2-(2-methoxyethoxy)ethane SMILES: COCCOCCOC
| PubChem CID | 8150 |
|---|---|
| CAS | 111-96-6 |
| Molecular Weight (g/mol) | 134.18 |
| ChEBI | CHEBI:46784 |
| SMILES | COCCOCCOC |
| Synonym | diglyme,bis 2-methoxyethyl ether,2-methoxyethyl ether,1-methoxy-2-2-methoxyethoxy ethane,diethylene glycol dimethyl ether,poly-solv,di 2-methoxyethyl ether,dimethyl carbitol,2,5,8-trioxanonane |
| IUPAC Name | 1-methoxy-2-(2-methoxyethoxy)ethane |
| InChI Key | SBZXBUIDTXKZTM-UHFFFAOYSA-N |
| Molecular Formula | C6H14O3 |
Squaric Acid Dibutyl Ester, 97%
CAS: 2892-62-8 Molecular Formula: C12H18O4 Molecular Weight (g/mol): 226.27 MDL Number: MFCD00037150 InChI Key: XBRWELTXMQSEIN-UHFFFAOYSA-N Synonym: dibutyl squarate,3,4-dibutoxy-3-cyclobutene-1,2-dione,squaric acid dibutyl ester,sadbe,squaric acid dibutylester,3,4-di-n-butoxy-3-cyclobutene-1,2-dione,unii-4rto57vg65,1,2-dibutyl squarate,3-cyclobutene-1,2-dione, 3,4-dibutoxy,acmc-209h5p PubChem CID: 65108 ChEBI: CHEBI:53612 IUPAC Name: 3,4-dibutoxycyclobut-3-ene-1,2-dione SMILES: CCCCOC1=C(OCCCC)C(=O)C1=O
| PubChem CID | 65108 |
|---|---|
| CAS | 2892-62-8 |
| Molecular Weight (g/mol) | 226.27 |
| ChEBI | CHEBI:53612 |
| MDL Number | MFCD00037150 |
| SMILES | CCCCOC1=C(OCCCC)C(=O)C1=O |
| Synonym | dibutyl squarate,3,4-dibutoxy-3-cyclobutene-1,2-dione,squaric acid dibutyl ester,sadbe,squaric acid dibutylester,3,4-di-n-butoxy-3-cyclobutene-1,2-dione,unii-4rto57vg65,1,2-dibutyl squarate,3-cyclobutene-1,2-dione, 3,4-dibutoxy,acmc-209h5p |
| IUPAC Name | 3,4-dibutoxycyclobut-3-ene-1,2-dione |
| InChI Key | XBRWELTXMQSEIN-UHFFFAOYSA-N |
| Molecular Formula | C12H18O4 |
Thermo Scientific Chemicals (±)-alpha-Tocopherol, 95%, synthetic
CAS: 10191-41-0 Molecular Formula: C29H50O2 Molecular Weight (g/mol): 430.72 MDL Number: MFCD00072051 InChI Key: GVJHHUAWPYXKBD-IEOSBIPESA-N Synonym: vitamin e,alpha-tocopherol,d-alpha-tocopherol,5,7,8-trimethyltocol,+-alpha-tocopherol,r,r,r-alpha-tocopherol,phytogermine,eprolin,2r,4'r,8'r-alpha-tocopherol,dl-a-tocopherol PubChem CID: 14985 ChEBI: CHEBI:18145 SMILES: CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1
| PubChem CID | 14985 |
|---|---|
| CAS | 10191-41-0 |
| Molecular Weight (g/mol) | 430.72 |
| ChEBI | CHEBI:18145 |
| MDL Number | MFCD00072051 |
| SMILES | CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1 |
| Synonym | vitamin e,alpha-tocopherol,d-alpha-tocopherol,5,7,8-trimethyltocol,+-alpha-tocopherol,r,r,r-alpha-tocopherol,phytogermine,eprolin,2r,4'r,8'r-alpha-tocopherol,dl-a-tocopherol |
| InChI Key | GVJHHUAWPYXKBD-IEOSBIPESA-N |
| Molecular Formula | C29H50O2 |
3-Buten-1-ol, 98+%
CAS: 627-27-0 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.107 MDL Number: MFCD00002959 InChI Key: ZSPTYLOMNJNZNG-UHFFFAOYSA-N Synonym: 3-buten-1-ol,allylcarbinol,3-butenyl alcohol,1-buten-4-ol,vinylethyl alcohol,3-butene-1-ol,ch2=chch2ch2oh,homoallyl alcohol,unii-3db2krm1i9,1-hydroxy-3-butene PubChem CID: 69389 IUPAC Name: but-3-en-1-ol SMILES: C=CCCO
| PubChem CID | 69389 |
|---|---|
| CAS | 627-27-0 |
| Molecular Weight (g/mol) | 72.107 |
| MDL Number | MFCD00002959 |
| SMILES | C=CCCO |
| Synonym | 3-buten-1-ol,allylcarbinol,3-butenyl alcohol,1-buten-4-ol,vinylethyl alcohol,3-butene-1-ol,ch2=chch2ch2oh,homoallyl alcohol,unii-3db2krm1i9,1-hydroxy-3-butene |
| IUPAC Name | but-3-en-1-ol |
| InChI Key | ZSPTYLOMNJNZNG-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |
Poly(vinyl alcohol), 98.0%-98.8% hydrolyzed, M.W. approx. 50,000-85,000
CAS: 9002-89-5 Molecular Formula: (C2H4O)n Molecular Weight (g/mol): 44.05 MDL Number: MFCD00081922 InChI Key: IMROMDMJAWUWLK-UHFFFAOYSA-N Synonym: vinyl alcohol,polyvinyl alcohol,hydroxyethene,hydroxyethylene,ethenol, homopolymer,gohsenol,polyviol,elvanol,mowiol,poval PubChem CID: 11199 IUPAC Name: ethenol SMILES: OC(-*)C-*
| PubChem CID | 11199 |
|---|---|
| CAS | 9002-89-5 |
| Molecular Weight (g/mol) | 44.05 |
| MDL Number | MFCD00081922 |
| SMILES | OC(-*)C-* |
| Synonym | vinyl alcohol,polyvinyl alcohol,hydroxyethene,hydroxyethylene,ethenol, homopolymer,gohsenol,polyviol,elvanol,mowiol,poval |
| IUPAC Name | ethenol |
| InChI Key | IMROMDMJAWUWLK-UHFFFAOYSA-N |
| Molecular Formula | (C2H4O)n |
Thermo Scientific Chemicals Chlorogenic acid, 98%
CAS: 327-97-9 Molecular Formula: C16H18O9 Molecular Weight (g/mol): 354.31 MDL Number: MFCD00003862 InChI Key: CWVRJTMFETXNAD-JUHZACGLSA-N Synonym: chlorogenic acid,3-caffeoylquinic acid,chlorogenate,3-o-caffeoylquinic acid,3-3,4-dihydroxycinnamoyl quinic acid,heriguard,hlorogenic acid,caffeoyl quinic acid,3-caffeoylquinate,unii-318adp12ri PubChem CID: 1794427 ChEBI: CHEBI:16112 IUPAC Name: (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid SMILES: O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O
| PubChem CID | 1794427 |
|---|---|
| CAS | 327-97-9 |
| Molecular Weight (g/mol) | 354.31 |
| ChEBI | CHEBI:16112 |
| MDL Number | MFCD00003862 |
| SMILES | O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O |
| Synonym | chlorogenic acid,3-caffeoylquinic acid,chlorogenate,3-o-caffeoylquinic acid,3-3,4-dihydroxycinnamoyl quinic acid,heriguard,hlorogenic acid,caffeoyl quinic acid,3-caffeoylquinate,unii-318adp12ri |
| IUPAC Name | (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid |
| InChI Key | CWVRJTMFETXNAD-JUHZACGLSA-N |
| Molecular Formula | C16H18O9 |
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 |
4-Hydroxy-4-methyl-2-pentanone, 98+%
CAS: 123-42-2 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00004471 InChI Key: SWXVUIWOUIDPGS-UHFFFAOYSA-N Synonym: diacetone alcohol,4-hydroxy-4-methyl-2-pentanone,diacetonalkohol,diketone alcohol,diacetonalcohol,tyranton,acetonyldimethylcarbinol,diacetone-alcool,pyranton a,2-methyl-2-pentanol-4-one PubChem CID: 31256 ChEBI: CHEBI:55381 IUPAC Name: 4-hydroxy-4-methylpentan-2-one SMILES: CC(=O)CC(C)(C)O
| PubChem CID | 31256 |
|---|---|
| CAS | 123-42-2 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:55381 |
| MDL Number | MFCD00004471 |
| SMILES | CC(=O)CC(C)(C)O |
| Synonym | diacetone alcohol,4-hydroxy-4-methyl-2-pentanone,diacetonalkohol,diketone alcohol,diacetonalcohol,tyranton,acetonyldimethylcarbinol,diacetone-alcool,pyranton a,2-methyl-2-pentanol-4-one |
| IUPAC Name | 4-hydroxy-4-methylpentan-2-one |
| InChI Key | SWXVUIWOUIDPGS-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Cyclopentyl methyl ether, 99.5%, Extra Dry, stabilized, AcroSeal™
CAS: 5614-37-9 Molecular Formula: C6H12O Molecular Weight (g/mol): 100.16 MDL Number: MFCD08276401 InChI Key: SKTCDJAMAYNROS-UHFFFAOYSA-N Synonym: cyclopentyl methyl ether,cyclopentane, methoxy,cpme,cyclopentane,methoxy,unii-4067e5gbkb,cyclopentylmethylether,cylopentylmethylether,methoxycyclopentane,2-methoxycyclopentyl,cylopentyl-methylether PubChem CID: 138539 IUPAC Name: methoxycyclopentane SMILES: COC1CCCC1
| PubChem CID | 138539 |
|---|---|
| CAS | 5614-37-9 |
| Molecular Weight (g/mol) | 100.16 |
| MDL Number | MFCD08276401 |
| SMILES | COC1CCCC1 |
| Synonym | cyclopentyl methyl ether,cyclopentane, methoxy,cpme,cyclopentane,methoxy,unii-4067e5gbkb,cyclopentylmethylether,cylopentylmethylether,methoxycyclopentane,2-methoxycyclopentyl,cylopentyl-methylether |
| IUPAC Name | methoxycyclopentane |
| InChI Key | SKTCDJAMAYNROS-UHFFFAOYSA-N |
| Molecular Formula | C6H12O |
3-Acetyl-2,4-dimethylpyrrole, 98%, Thermo Scientific Chemicals
CAS: 2386-25-6 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 InChI Key: VGZCKCJMYREIKA-UHFFFAOYSA-N Synonym: 3-acetyl-2,4-dimethylpyrrole,2,4-dimethyl-3-acetylpyrrole,1-2,4-dimethyl-1h-pyrrol-3-yl ethanone,2,4-dimethylpyrrol-3-yl methyl ketone,ethanone, 1-2,4-dimethyl-1h-pyrrol-3-yl,ketone, 2,4-dimethylpyrrol-3-yl methyl,1-2,4-dimethyl-1h-pyrrol-3-yl ethan-1-one,2,4-dimethyl-3-acetyl-pyrrole,3-acetyl-2,5-dimethyl-pyrrole,1-2,4-dimethyl-1h-pyrrol-3-yl-ethanone PubChem CID: 15163 IUPAC Name: 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone SMILES: CC1=CNC(=C1C(=O)C)C
| PubChem CID | 15163 |
|---|---|
| CAS | 2386-25-6 |
| Molecular Weight (g/mol) | 137.18 |
| SMILES | CC1=CNC(=C1C(=O)C)C |
| Synonym | 3-acetyl-2,4-dimethylpyrrole,2,4-dimethyl-3-acetylpyrrole,1-2,4-dimethyl-1h-pyrrol-3-yl ethanone,2,4-dimethylpyrrol-3-yl methyl ketone,ethanone, 1-2,4-dimethyl-1h-pyrrol-3-yl,ketone, 2,4-dimethylpyrrol-3-yl methyl,1-2,4-dimethyl-1h-pyrrol-3-yl ethan-1-one,2,4-dimethyl-3-acetyl-pyrrole,3-acetyl-2,5-dimethyl-pyrrole,1-2,4-dimethyl-1h-pyrrol-3-yl-ethanone |
| IUPAC Name | 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone |
| InChI Key | VGZCKCJMYREIKA-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
Ethyl potassium malonate, 98%
CAS: 6148-64-7 Molecular Formula: C5H7KO4 Molecular Weight (g/mol): 170.2 MDL Number: MFCD00035603 InChI Key: WVUCPRGADMCTBN-UHFFFAOYSA-M Synonym: ethyl potassium malonate,potassium 3-ethoxy-3-oxopropanoate,potassium ethyl malonate,potassium monoethyl malonate,monoethyl malonate potassium salt,malonic acid monoethyl ester potassium salt,monoethyl potassium malonate,ethyl malonate potassium salt,propanedioic acid, monoethyl ester, potassium salt,ethylpotassiummalonate PubChem CID: 3446434 IUPAC Name: potassium;3-ethoxy-3-oxopropanoate SMILES: CCOC(=O)CC(=O)[O-].[K+]
| PubChem CID | 3446434 |
|---|---|
| CAS | 6148-64-7 |
| Molecular Weight (g/mol) | 170.2 |
| MDL Number | MFCD00035603 |
| SMILES | CCOC(=O)CC(=O)[O-].[K+] |
| Synonym | ethyl potassium malonate,potassium 3-ethoxy-3-oxopropanoate,potassium ethyl malonate,potassium monoethyl malonate,monoethyl malonate potassium salt,malonic acid monoethyl ester potassium salt,monoethyl potassium malonate,ethyl malonate potassium salt,propanedioic acid, monoethyl ester, potassium salt,ethylpotassiummalonate |
| IUPAC Name | potassium;3-ethoxy-3-oxopropanoate |
| InChI Key | WVUCPRGADMCTBN-UHFFFAOYSA-M |
| Molecular Formula | C5H7KO4 |