Organooxygen compounds
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Ethyl glyoxalate, technical, ∼50% in toluene
CAS: 924-44-7 Molecular Formula: C4H6O3 Molecular Weight (g/mol): 102.09 InChI Key: DBPFRRFGLYGEJI-UHFFFAOYSA-N Synonym: ethyl glyoxalate,ethyl glyoxylate,ethyl oxoacetate,glyoxylic acid ethyl ester,acetic acid, oxo-, ethyl ester,ethyl glyoxalate solution,unii-ixx9mq1j1i,acetic acid, 2-oxo-, ethyl ester,ixx9mq1j1i,2-oxoacetic acid, ethyl ester PubChem CID: 70211 ChEBI: CHEBI:53275 IUPAC Name: ethyl 2-oxoacetate SMILES: CCOC(=O)C=O
| PubChem CID | 70211 |
|---|---|
| CAS | 924-44-7 |
| Molecular Weight (g/mol) | 102.09 |
| ChEBI | CHEBI:53275 |
| SMILES | CCOC(=O)C=O |
| Synonym | ethyl glyoxalate,ethyl glyoxylate,ethyl oxoacetate,glyoxylic acid ethyl ester,acetic acid, oxo-, ethyl ester,ethyl glyoxalate solution,unii-ixx9mq1j1i,acetic acid, 2-oxo-, ethyl ester,ixx9mq1j1i,2-oxoacetic acid, ethyl ester |
| IUPAC Name | ethyl 2-oxoacetate |
| InChI Key | DBPFRRFGLYGEJI-UHFFFAOYSA-N |
| Molecular Formula | C4H6O3 |
2-(2-Butoxyethoxy)ethanol, 99+%
CAS: 112-34-5 Molecular Formula: C8H18O3 Molecular Weight (g/mol): 162.23 InChI Key: OAYXUHPQHDHDDZ-UHFFFAOYSA-N Synonym: 2-2-butoxyethoxy ethanol,diethylene glycol monobutyl ether,butyldiglycol,butyl carbitol,diethylene glycol butyl ether,butyl diglycol,butyl digol,ethanol, 2-2-butoxyethoxy,butoxyethoxyethanol,butoxydiglycol PubChem CID: 8177 IUPAC Name: 2-(2-butoxyethoxy)ethanol SMILES: CCCCOCCOCCO
| PubChem CID | 8177 |
|---|---|
| CAS | 112-34-5 |
| Molecular Weight (g/mol) | 162.23 |
| SMILES | CCCCOCCOCCO |
| Synonym | 2-2-butoxyethoxy ethanol,diethylene glycol monobutyl ether,butyldiglycol,butyl carbitol,diethylene glycol butyl ether,butyl diglycol,butyl digol,ethanol, 2-2-butoxyethoxy,butoxyethoxyethanol,butoxydiglycol |
| IUPAC Name | 2-(2-butoxyethoxy)ethanol |
| InChI Key | OAYXUHPQHDHDDZ-UHFFFAOYSA-N |
| Molecular Formula | C8H18O3 |
Ethyl 2-oxocyclopentanecarboxylate, 95+%
CAS: 611-10-9 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.18 MDL Number: MFCD00001412 InChI Key: JHZPNBKZPAWCJD-UHFFFAOYSA-N PubChem CID: 69136 IUPAC Name: ethyl 2-oxocyclopentane-1-carboxylate SMILES: CCOC(=O)C1CCCC1=O
| PubChem CID | 69136 |
|---|---|
| CAS | 611-10-9 |
| Molecular Weight (g/mol) | 156.18 |
| MDL Number | MFCD00001412 |
| SMILES | CCOC(=O)C1CCCC1=O |
| IUPAC Name | ethyl 2-oxocyclopentane-1-carboxylate |
| InChI Key | JHZPNBKZPAWCJD-UHFFFAOYSA-N |
| Molecular Formula | C8H12O3 |
4-Pyridinemethanol, 99%
CAS: 586-95-8 Molecular Formula: C6H7NO Molecular Weight (g/mol): 109.13 MDL Number: MFCD00006442 InChI Key: PTMBWNZJOQBTBK-UHFFFAOYSA-N Synonym: 4-pyridinemethanol,4-pyridylcarbinol,4-hydroxymethyl pyridine,pyridine-4-methanol,4-pyridylmethanol,4-pyridinylmethanol,4-pyridinecarbinol,4-picolyl alcohol,4-hydroxymethylpyridine,pyridin-4-yl methanol PubChem CID: 11472 SMILES: OCC1=CC=NC=C1
| PubChem CID | 11472 |
|---|---|
| CAS | 586-95-8 |
| Molecular Weight (g/mol) | 109.13 |
| MDL Number | MFCD00006442 |
| SMILES | OCC1=CC=NC=C1 |
| Synonym | 4-pyridinemethanol,4-pyridylcarbinol,4-hydroxymethyl pyridine,pyridine-4-methanol,4-pyridylmethanol,4-pyridinylmethanol,4-pyridinecarbinol,4-picolyl alcohol,4-hydroxymethylpyridine,pyridin-4-yl methanol |
| InChI Key | PTMBWNZJOQBTBK-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO |
Ursodeoxycholic acid, 99%, Thermo Scientific Chemicals
CAS: 128-13-2 Molecular Formula: C24H40O4 Molecular Weight (g/mol): 392.58 MDL Number: MFCD00003680 InChI Key: RUDATBOHQWOJDD-UZVSRGJWSA-N Synonym: ursodeoxycholic acid,ursodiol,actigall,ursofalk,ursolvan,delursan,ursodeoxycholate,urso,urso forte,ursodesoxycholic acid PubChem CID: 31401 ChEBI: CHEBI:9907 IUPAC Name: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid SMILES: [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C
| PubChem CID | 31401 |
|---|---|
| CAS | 128-13-2 |
| Molecular Weight (g/mol) | 392.58 |
| ChEBI | CHEBI:9907 |
| MDL Number | MFCD00003680 |
| SMILES | [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])[C@@H](O)C[C@]2([H])C[C@H](O)CC[C@]12C |
| Synonym | ursodeoxycholic acid,ursodiol,actigall,ursofalk,ursolvan,delursan,ursodeoxycholate,urso,urso forte,ursodesoxycholic acid |
| IUPAC Name | (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
| InChI Key | RUDATBOHQWOJDD-UZVSRGJWSA-N |
| Molecular Formula | C24H40O4 |
2'-Hydroxyacetophenone, 98%
CAS: 118-93-4 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002219 InChI Key: JECYUBVRTQDVAT-UHFFFAOYSA-N Synonym: 2'-hydroxyacetophenone,2-acetylphenol,1-2-hydroxyphenyl ethanone,o-hydroxyacetophenone,o-acetylphenol,o-hydroxyphenyl methyl ketone,ethanone, 1-2-hydroxyphenyl,1-2-hydroxyphenyl ethan-1-one,acetophenone, 2'-hydroxy,2-hydroxyphenyl methyl ketone PubChem CID: 8375 IUPAC Name: 1-(2-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC=CC=C1O
| PubChem CID | 8375 |
|---|---|
| CAS | 118-93-4 |
| Molecular Weight (g/mol) | 136.15 |
| MDL Number | MFCD00002219 |
| SMILES | CC(=O)C1=CC=CC=C1O |
| Synonym | 2'-hydroxyacetophenone,2-acetylphenol,1-2-hydroxyphenyl ethanone,o-hydroxyacetophenone,o-acetylphenol,o-hydroxyphenyl methyl ketone,ethanone, 1-2-hydroxyphenyl,1-2-hydroxyphenyl ethan-1-one,acetophenone, 2'-hydroxy,2-hydroxyphenyl methyl ketone |
| IUPAC Name | 1-(2-hydroxyphenyl)ethanone |
| InChI Key | JECYUBVRTQDVAT-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
2-Methylbutyraldehyde, 95%
CAS: 96-17-3 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00006984 InChI Key: BYGQBDHUGHBGMD-UHFFFAOYNA-N Synonym: 2-methylbutyraldehyde,butanal, 2-methyl,2-formylbutane,2-methylbutyric aldehyde,methylethylacetaldehyde,2-ethylpropanal,2-methyl-1-butanal,butyraldehyde, 2-methyl,acetaldehyde, ethylmethyl,alpha-methylbutanal PubChem CID: 7284 ChEBI: CHEBI:16182 IUPAC Name: 2-methylbutanal SMILES: CCC(C)C=O
| PubChem CID | 7284 |
|---|---|
| CAS | 96-17-3 |
| Molecular Weight (g/mol) | 86.13 |
| ChEBI | CHEBI:16182 |
| MDL Number | MFCD00006984 |
| SMILES | CCC(C)C=O |
| Synonym | 2-methylbutyraldehyde,butanal, 2-methyl,2-formylbutane,2-methylbutyric aldehyde,methylethylacetaldehyde,2-ethylpropanal,2-methyl-1-butanal,butyraldehyde, 2-methyl,acetaldehyde, ethylmethyl,alpha-methylbutanal |
| IUPAC Name | 2-methylbutanal |
| InChI Key | BYGQBDHUGHBGMD-UHFFFAOYNA-N |
| Molecular Formula | C5H10O |
Malonamide, 98%
CAS: 108-13-4 Molecular Formula: C3H6N2O2 Molecular Weight (g/mol): 102.093 MDL Number: MFCD00008034 InChI Key: WRIRWRKPLXCTFD-UHFFFAOYSA-N Synonym: malonamide,malonodiamide,malondiamide,malonyldiamide,carboxamidoacetamide,malonic acid diamide,malonic diamide,unii-qvq8cng255,qvq8cng255,methane-1,1-dicarboxamide PubChem CID: 7911 IUPAC Name: propanediamide SMILES: C(C(=O)N)C(=O)N
| PubChem CID | 7911 |
|---|---|
| CAS | 108-13-4 |
| Molecular Weight (g/mol) | 102.093 |
| MDL Number | MFCD00008034 |
| SMILES | C(C(=O)N)C(=O)N |
| Synonym | malonamide,malonodiamide,malondiamide,malonyldiamide,carboxamidoacetamide,malonic acid diamide,malonic diamide,unii-qvq8cng255,qvq8cng255,methane-1,1-dicarboxamide |
| IUPAC Name | propanediamide |
| InChI Key | WRIRWRKPLXCTFD-UHFFFAOYSA-N |
| Molecular Formula | C3H6N2O2 |
Amiodarone hydrochloride
CAS: 19774-82-4 Molecular Formula: C25H30ClI2NO3 Molecular Weight (g/mol): 681.778 MDL Number: MFCD00069204 InChI Key: ITPDYQOUSLNIHG-UHFFFAOYSA-N Synonym: amiodarone hydrochloride,amiodarone hcl,amiodar,nexterone,pacerone,amiodaronum hydrochloride,ritmocardyl,rythmarone,angoron PubChem CID: 441325 IUPAC Name: (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride SMILES: CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl
| PubChem CID | 441325 |
|---|---|
| CAS | 19774-82-4 |
| Molecular Weight (g/mol) | 681.778 |
| MDL Number | MFCD00069204 |
| SMILES | CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl |
| Synonym | amiodarone hydrochloride,amiodarone hcl,amiodar,nexterone,pacerone,amiodaronum hydrochloride,ritmocardyl,rythmarone,angoron |
| IUPAC Name | (2-butyl-1-benzofuran-3-yl)-[4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl]methanone;hydrochloride |
| InChI Key | ITPDYQOUSLNIHG-UHFFFAOYSA-N |
| Molecular Formula | C25H30ClI2NO3 |
Thermo Scientific Chemicals D(+)-Maltose monohydrate, 92+%
CAS: 6363-53-7 Molecular Formula: C12H24O12 Molecular Weight (g/mol): 360.31 MDL Number: MFCD00149343 InChI Key: HBDJFVFTHLOSDW-UHFFFAOYNA-N Synonym: d-+-maltose monohydrate,unii-dm477ee40d,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2r,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra IUPAC Name: 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate SMILES: O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O
| CAS | 6363-53-7 |
|---|---|
| Molecular Weight (g/mol) | 360.31 |
| MDL Number | MFCD00149343 |
| SMILES | O.OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C=O |
| Synonym | d-+-maltose monohydrate,unii-dm477ee40d,2r,3r,4r,5r-2,3,5,6-tetrahydroxy-4-2r,3r,4s,5s,6r-3,4,5-trihydroxy-6-hydroxymethyl oxan-2-yl oxy hexanal hydrate,beta-maltose monohydrate,d-+-maltosemonohydrate,69-79-4 anhydrous,d +-maltose monohydrate,d-+-maltose monohydrate, puriss.,d-+-maltose monohydrate, analytical standard,d-+-maltose monohydrate, bioxtra |
| IUPAC Name | 2,3,5,6-tetrahydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal hydrate |
| InChI Key | HBDJFVFTHLOSDW-UHFFFAOYNA-N |
| Molecular Formula | C12H24O12 |
2,5-Dimethyl-3-hexyne-2,5-diol, (+/-) + meso, 98%
CAS: 142-30-3 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00004468 InChI Key: IHJUECRFYCQBMW-UHFFFAOYSA-N Synonym: 2,5-dimethyl-3-hexyne-2,5-diol,dimethylhexynediol,kemitracin-50,tetramethylbutynediol,acetylenepinacol,3-hexyne-2,5-diol, 2,5-dimethyl,olfine y,tetramethyl-2-butynediol,unii-22rr53u71w,2,5-dimethylhexyne-2,5-diol PubChem CID: 8883 IUPAC Name: 2,5-dimethylhex-3-yne-2,5-diol SMILES: CC(C)(C#CC(C)(C)O)O
| PubChem CID | 8883 |
|---|---|
| CAS | 142-30-3 |
| Molecular Weight (g/mol) | 142.198 |
| MDL Number | MFCD00004468 |
| SMILES | CC(C)(C#CC(C)(C)O)O |
| Synonym | 2,5-dimethyl-3-hexyne-2,5-diol,dimethylhexynediol,kemitracin-50,tetramethylbutynediol,acetylenepinacol,3-hexyne-2,5-diol, 2,5-dimethyl,olfine y,tetramethyl-2-butynediol,unii-22rr53u71w,2,5-dimethylhexyne-2,5-diol |
| IUPAC Name | 2,5-dimethylhex-3-yne-2,5-diol |
| InChI Key | IHJUECRFYCQBMW-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
DL-2-Methyl-1-butanol, 98%
CAS: 137-32-6 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00004743 InChI Key: QPRQEDXDYOZYLA-UHFFFAOYSA-N Synonym: 2-methyl-1-butanol,active amyl alcohol,1-butanol, 2-methyl,2-methylbutanol,sec-butylcarbinol,dl-2-methyl-1-butanol,2-methyl-n-butanol,2-methylbutyl alcohol,2-methyl butanol-1,primary active amyl alcohol PubChem CID: 8723 ChEBI: CHEBI:48945 IUPAC Name: 2-methylbutan-1-ol SMILES: CCC(C)CO
| PubChem CID | 8723 |
|---|---|
| CAS | 137-32-6 |
| Molecular Weight (g/mol) | 88.15 |
| ChEBI | CHEBI:48945 |
| MDL Number | MFCD00004743 |
| SMILES | CCC(C)CO |
| Synonym | 2-methyl-1-butanol,active amyl alcohol,1-butanol, 2-methyl,2-methylbutanol,sec-butylcarbinol,dl-2-methyl-1-butanol,2-methyl-n-butanol,2-methylbutyl alcohol,2-methyl butanol-1,primary active amyl alcohol |
| IUPAC Name | 2-methylbutan-1-ol |
| InChI Key | QPRQEDXDYOZYLA-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
Triethyl orthoacetate, 97%
CAS: 78-39-7 Molecular Formula: C8H18O3 Molecular Weight (g/mol): 162.23 MDL Number: MFCD00009223 InChI Key: NDQXKKFRNOPRDW-UHFFFAOYSA-N Synonym: triethyl orthoacetate,ethyl orthoacetate,ethane, 1,1,1-triethoxy,orthoacetic acid, triethyl ester,orthoacetic acid triethyl ester,triethoxyethane,triethoxy ethane,triethy orthoacetate,triethyl ortho-aceate,1,1-triethoxyethane PubChem CID: 66221 IUPAC Name: 1,1,1-triethoxyethane SMILES: CCOC(C)(OCC)OCC
| PubChem CID | 66221 |
|---|---|
| CAS | 78-39-7 |
| Molecular Weight (g/mol) | 162.23 |
| MDL Number | MFCD00009223 |
| SMILES | CCOC(C)(OCC)OCC |
| Synonym | triethyl orthoacetate,ethyl orthoacetate,ethane, 1,1,1-triethoxy,orthoacetic acid, triethyl ester,orthoacetic acid triethyl ester,triethoxyethane,triethoxy ethane,triethy orthoacetate,triethyl ortho-aceate,1,1-triethoxyethane |
| IUPAC Name | 1,1,1-triethoxyethane |
| InChI Key | NDQXKKFRNOPRDW-UHFFFAOYSA-N |
| Molecular Formula | C8H18O3 |
Poly(vinyl alcohol), 87.0-89.0% hydrolyzed, M.W. approx. 31,000-50,000
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 |
4'-Hydroxyacetophenone, 98%
CAS: 99-93-4 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002359 InChI Key: TXFPEBPIARQUIG-UHFFFAOYSA-N Synonym: 4'-hydroxyacetophenone,4-hydroxyacetophenone,1-4-hydroxyphenyl ethanone,4-acetylphenol,p-hydroxyacetophenone,piceol,ethanone, 1-4-hydroxyphenyl,p-acetylphenol,para-hydroxyacetophenone,p-oxyacetophenone PubChem CID: 7469 ChEBI: CHEBI:28032 IUPAC Name: 1-(4-hydroxyphenyl)ethanone SMILES: CC(=O)C1=CC=C(O)C=C1
| PubChem CID | 7469 |
|---|---|
| CAS | 99-93-4 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:28032 |
| MDL Number | MFCD00002359 |
| SMILES | CC(=O)C1=CC=C(O)C=C1 |
| Synonym | 4'-hydroxyacetophenone,4-hydroxyacetophenone,1-4-hydroxyphenyl ethanone,4-acetylphenol,p-hydroxyacetophenone,piceol,ethanone, 1-4-hydroxyphenyl,p-acetylphenol,para-hydroxyacetophenone,p-oxyacetophenone |
| IUPAC Name | 1-(4-hydroxyphenyl)ethanone |
| InChI Key | TXFPEBPIARQUIG-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |