Organooxygen compounds
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Diethylene glycol, 99%, extra pure
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 |
Thermo Scientific Chemicals Ergosterol, 98%
CAS: 57-87-4 Molecular Formula: C28H44O Molecular Weight (g/mol): 396.64 MDL Number: MFCD00003623 InChI Key: DNVPQKQSNYMLRS-APGDWVJJSA-N Synonym: ergosterol,provitamin d2,unii-z30ray509f,ergosterin,ergosta-5,7,22e-trien-3beta-ol,5,7,22-ergostatrien-3beta-ol,3beta-hydroxy-5,7,22-ergostatriene,22e,24s-24-methylcholesta-5,7,22-trien-3beta-ol,22e-ergosta-5,7,22-trien-3beta-ol,ergosta-5,7,22-trien-3-ol, 3b,22e PubChem CID: 444679 ChEBI: CHEBI:16933 IUPAC Name: (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol SMILES: CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C
| PubChem CID | 444679 |
|---|---|
| CAS | 57-87-4 |
| Molecular Weight (g/mol) | 396.64 |
| ChEBI | CHEBI:16933 |
| MDL Number | MFCD00003623 |
| SMILES | CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C |
| Synonym | ergosterol,provitamin d2,unii-z30ray509f,ergosterin,ergosta-5,7,22e-trien-3beta-ol,5,7,22-ergostatrien-3beta-ol,3beta-hydroxy-5,7,22-ergostatriene,22e,24s-24-methylcholesta-5,7,22-trien-3beta-ol,22e-ergosta-5,7,22-trien-3beta-ol,ergosta-5,7,22-trien-3-ol, 3b,22e |
| IUPAC Name | (3S,9S,10R,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol |
| InChI Key | DNVPQKQSNYMLRS-APGDWVJJSA-N |
| Molecular Formula | C28H44O |
Thermo Scientific Chemicals D(-)-Isoascorbic acid, 98%
CAS: 89-65-6 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 MDL Number: MFCD00005378 InChI Key: IFVCRSPJFHGFCG-HXPAKLQESA-N Synonym: erythorbic acid,isoascorbic acid,d-araboascorbic acid,d-isoascorbic acid,araboascorbic acid,d-erythorbic acid,isovitamin c,neo-cebicure,saccharosonic acid,mercate 5 PubChem CID: 54675810 ChEBI: CHEBI:51438 IUPAC Name: (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one SMILES: [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O
| PubChem CID | 54675810 |
|---|---|
| CAS | 89-65-6 |
| Molecular Weight (g/mol) | 198.11 |
| ChEBI | CHEBI:51438 |
| MDL Number | MFCD00005378 |
| SMILES | [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O |
| Synonym | erythorbic acid,isoascorbic acid,d-araboascorbic acid,d-isoascorbic acid,araboascorbic acid,d-erythorbic acid,isovitamin c,neo-cebicure,saccharosonic acid,mercate 5 |
| IUPAC Name | (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one |
| InChI Key | IFVCRSPJFHGFCG-HXPAKLQESA-N |
| Molecular Formula | C6H7NaO6 |
Tris(dibenzylideneacetone)dipalladium(0), 97%
CAS: 51364-51-3 Molecular Formula: C51H42O3Pd2 Molecular Weight (g/mol): 915.73 MDL Number: MFCD00013310 InChI Key: CYPYTURSJDMMMP-UHFFFAOYSA-N Synonym: tris dibenzylideneacetone dipalladium 0,tris dibenzylideneacetone dipalladium,pd2 dba 3,tris dibezylideneacetone dipalladium,tris dibenzylideneacetone dipalladium o,tris dibenzylideneacetonyl bis-palladium,tris dba,tris 1e,4e-1,5-diphenylpenta-1,4-dien-3-one dipalladium PubChem CID: 9811564 IUPAC Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium SMILES: [Pd].[Pd].O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1
| PubChem CID | 9811564 |
|---|---|
| CAS | 51364-51-3 |
| Molecular Weight (g/mol) | 915.73 |
| MDL Number | MFCD00013310 |
| SMILES | [Pd].[Pd].O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1 |
| Synonym | tris dibenzylideneacetone dipalladium 0,tris dibenzylideneacetone dipalladium,pd2 dba 3,tris dibezylideneacetone dipalladium,tris dibenzylideneacetone dipalladium o,tris dibenzylideneacetonyl bis-palladium,tris dba,tris 1e,4e-1,5-diphenylpenta-1,4-dien-3-one dipalladium |
| IUPAC Name | (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium |
| InChI Key | CYPYTURSJDMMMP-UHFFFAOYSA-N |
| Molecular Formula | C51H42O3Pd2 |
Acetophenone, 98%, pure
CAS: 98-86-2 MDL Number: MFCD00008724 InChI Key: KWOLFJPFCHCOCG-UHFFFAOYSA-N Synonym: acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol PubChem CID: 7410 ChEBI: CHEBI:27632 IUPAC Name: 1-phenylethanone SMILES: CC(=O)C1=CC=CC=C1
| PubChem CID | 7410 |
|---|---|
| CAS | 98-86-2 |
| ChEBI | CHEBI:27632 |
| MDL Number | MFCD00008724 |
| SMILES | CC(=O)C1=CC=CC=C1 |
| Synonym | acetophenone,methyl phenyl ketone,acetylbenzene,phenyl methyl ketone,ethanone, 1-phenyl,hypnone,benzoyl methide,acetophenon,1-phenylethan-1-one,acetylbenzol |
| IUPAC Name | 1-phenylethanone |
| InChI Key | KWOLFJPFCHCOCG-UHFFFAOYSA-N |
Pentaerythritol, 98%
CAS: 115-77-5 Molecular Formula: C5H12O4 Molecular Weight (g/mol): 136.15 InChI Key: WXZMFSXDPGVJKK-UHFFFAOYSA-N Synonym: pentaerythritol,pentek,2,2-bis hydroxymethyl propane-1,3-diol,tetramethylolmethane,monopentaerythritol,auxinutril,maxinutril,monopentek,pentaerythrite,penetek PubChem CID: 8285 IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol SMILES: C(C(CO)(CO)CO)O
| PubChem CID | 8285 |
|---|---|
| CAS | 115-77-5 |
| Molecular Weight (g/mol) | 136.15 |
| SMILES | C(C(CO)(CO)CO)O |
| Synonym | pentaerythritol,pentek,2,2-bis hydroxymethyl propane-1,3-diol,tetramethylolmethane,monopentaerythritol,auxinutril,maxinutril,monopentek,pentaerythrite,penetek |
| IUPAC Name | 2,2-bis(hydroxymethyl)propane-1,3-diol |
| InChI Key | WXZMFSXDPGVJKK-UHFFFAOYSA-N |
| Molecular Formula | C5H12O4 |
1,3-Propanediol, 98%
CAS: 504-63-2 Molecular Formula: C3H8O2 Molecular Weight (g/mol): 76.10 MDL Number: MFCD00002949 InChI Key: YPFDHNVEDLHUCE-UHFFFAOYSA-N Synonym: 1,3-propanediol,trimethylene glycol,1,3-dihydroxypropane,2-deoxyglycerol,1,3-propylene glycol,1,3-propylenediol,1,3-propandiol,2-hydroxymethyl ethanol,omega-propanediol,beta-propylene glycol PubChem CID: 10442 ChEBI: CHEBI:16109 IUPAC Name: propane-1,3-diol SMILES: OCCCO
| PubChem CID | 10442 |
|---|---|
| CAS | 504-63-2 |
| Molecular Weight (g/mol) | 76.10 |
| ChEBI | CHEBI:16109 |
| MDL Number | MFCD00002949 |
| SMILES | OCCCO |
| Synonym | 1,3-propanediol,trimethylene glycol,1,3-dihydroxypropane,2-deoxyglycerol,1,3-propylene glycol,1,3-propylenediol,1,3-propandiol,2-hydroxymethyl ethanol,omega-propanediol,beta-propylene glycol |
| IUPAC Name | propane-1,3-diol |
| InChI Key | YPFDHNVEDLHUCE-UHFFFAOYSA-N |
| Molecular Formula | C3H8O2 |
Thermo Scientific Chemicals Inositol, 98+%
CAS: 87-89-8 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00077932 InChI Key: CDAISMWEOUEBRE-UHFFFAOYSA-N Synonym: scyllo-inositol,myo-inositol,inositol,muco-inositol,epi-inositol,i-inositol,meso-inositol,allo-inositol,1d-chiro-inositol,myoinositol PubChem CID: 892 ChEBI: CHEBI:24848 IUPAC Name: cyclohexane-1,2,3,4,5,6-hexol SMILES: C1(C(C(C(C(C1O)O)O)O)O)O
| PubChem CID | 892 |
|---|---|
| CAS | 87-89-8 |
| Molecular Weight (g/mol) | 180.16 |
| ChEBI | CHEBI:24848 |
| MDL Number | MFCD00077932 |
| SMILES | C1(C(C(C(C(C1O)O)O)O)O)O |
| Synonym | scyllo-inositol,myo-inositol,inositol,muco-inositol,epi-inositol,i-inositol,meso-inositol,allo-inositol,1d-chiro-inositol,myoinositol |
| IUPAC Name | cyclohexane-1,2,3,4,5,6-hexol |
| InChI Key | CDAISMWEOUEBRE-UHFFFAOYSA-N |
| Molecular Formula | C6H12O6 |
Benzil, 99+%
CAS: 134-81-6 Molecular Formula: C14H10O2 Molecular Weight (g/mol): 210.23 MDL Number: MFCD00003080 InChI Key: WURBFLDFSFBTLW-UHFFFAOYSA-N Synonym: benzil,diphenylethanedione,dibenzoyl,diphenylglyoxal,bibenzoyl,ethanedione, diphenyl,1,2-diphenylethanedione,diphenylethane-1,2-dione,glyoxal, diphenyl,diphenyldiketon PubChem CID: 8651 ChEBI: CHEBI:51507 IUPAC Name: 1,2-diphenylethane-1,2-dione SMILES: O=C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 8651 |
|---|---|
| CAS | 134-81-6 |
| Molecular Weight (g/mol) | 210.23 |
| ChEBI | CHEBI:51507 |
| MDL Number | MFCD00003080 |
| SMILES | O=C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | benzil,diphenylethanedione,dibenzoyl,diphenylglyoxal,bibenzoyl,ethanedione, diphenyl,1,2-diphenylethanedione,diphenylethane-1,2-dione,glyoxal, diphenyl,diphenyldiketon |
| IUPAC Name | 1,2-diphenylethane-1,2-dione |
| InChI Key | WURBFLDFSFBTLW-UHFFFAOYSA-N |
| Molecular Formula | C14H10O2 |
5-(Hydroxymethyl)furfural, 98%
CAS: 67-47-0 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 InChI Key: NOEGNKMFWQHSLB-UHFFFAOYSA-N Synonym: 5-hydroxymethylfurfural,5-hydroxymethyl-2-furaldehyde,5-hydroxymethyl furfural,5-hydroxymethyl furan-2-carbaldehyde,hydroxymethylfurfural,5-hydroxymethyl-2-furfural,5-oxymethylfurfurole,5-hydroxymethylfuraldehyde,hydroxymethylfurfurole PubChem CID: 237332 ChEBI: CHEBI:412516 IUPAC Name: 5-(hydroxymethyl)furan-2-carbaldehyde SMILES: C1=C(OC(=C1)C=O)CO
| PubChem CID | 237332 |
|---|---|
| CAS | 67-47-0 |
| Molecular Weight (g/mol) | 126.11 |
| ChEBI | CHEBI:412516 |
| SMILES | C1=C(OC(=C1)C=O)CO |
| Synonym | 5-hydroxymethylfurfural,5-hydroxymethyl-2-furaldehyde,5-hydroxymethyl furfural,5-hydroxymethyl furan-2-carbaldehyde,hydroxymethylfurfural,5-hydroxymethyl-2-furfural,5-oxymethylfurfurole,5-hydroxymethylfuraldehyde,hydroxymethylfurfurole |
| IUPAC Name | 5-(hydroxymethyl)furan-2-carbaldehyde |
| InChI Key | NOEGNKMFWQHSLB-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |
1,2-Pentanediol, 96%
CAS: 5343-92-0 Molecular Formula: C5H12O2 Molecular Weight (g/mol): 104.15 MDL Number: MFCD00010736 InChI Key: WCVRQHFDJLLWFE-UHFFFAOYNA-N Synonym: 1,2-pentanediol,1,2-dihydroxypentane,1,2-pentanediol, 2r,acmc-20mbh5,acmc-1axdb,3-01-00-02191 beilstein handbook reference,ksc271i3n,wcvrqhfdjllwfe-uhfffaoysa PubChem CID: 93000 IUPAC Name: pentane-1,2-diol SMILES: CCCC(O)CO
| PubChem CID | 93000 |
|---|---|
| CAS | 5343-92-0 |
| Molecular Weight (g/mol) | 104.15 |
| MDL Number | MFCD00010736 |
| SMILES | CCCC(O)CO |
| Synonym | 1,2-pentanediol,1,2-dihydroxypentane,1,2-pentanediol, 2r,acmc-20mbh5,acmc-1axdb,3-01-00-02191 beilstein handbook reference,ksc271i3n,wcvrqhfdjllwfe-uhfffaoysa |
| IUPAC Name | pentane-1,2-diol |
| InChI Key | WCVRQHFDJLLWFE-UHFFFAOYNA-N |
| Molecular Formula | C5H12O2 |
D-Psicose, 98%
CAS: 551-68-8 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00083478 InChI Key: BJHIKXHVCXFQLS-PUFIMZNGSA-N Synonym: erythrohexulose,3r,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,pseudofructose,unii-qcc18lng3e,d-ribo-hex-2-ulose,qcc18lng3e,dl-psicose,ribo-2-hexulose,d-ribo-2-ketohexose,keto-d-psicose PubChem CID: 90008 ChEBI: CHEBI:27605 IUPAC Name: (3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O
| PubChem CID | 90008 |
|---|---|
| CAS | 551-68-8 |
| Molecular Weight (g/mol) | 180.16 |
| ChEBI | CHEBI:27605 |
| MDL Number | MFCD00083478 |
| SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
| Synonym | erythrohexulose,3r,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,pseudofructose,unii-qcc18lng3e,d-ribo-hex-2-ulose,qcc18lng3e,dl-psicose,ribo-2-hexulose,d-ribo-2-ketohexose,keto-d-psicose |
| IUPAC Name | (3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
| InChI Key | BJHIKXHVCXFQLS-PUFIMZNGSA-N |
| Molecular Formula | C6H12O6 |
2(2-Ethoxyethoxy)ethanol, 98+%
CAS: 111-90-0 MDL Number: MFCD00002872 InChI Key: XXJWXESWEXIICW-UHFFFAOYSA-N Synonym: diethylene glycol monoethyl ether,2-2-ethoxyethoxy ethanol,carbitol,transcutol,ethoxy diglycol,dioxitol,ethyl carbitol,ethyl digol,carbitol solvent,ethanol, 2-2-ethoxyethoxy PubChem CID: 8146 ChEBI: CHEBI:40572 IUPAC Name: 2-(2-ethoxyethoxy)ethanol SMILES: CCOCCOCCO
| PubChem CID | 8146 |
|---|---|
| CAS | 111-90-0 |
| ChEBI | CHEBI:40572 |
| MDL Number | MFCD00002872 |
| SMILES | CCOCCOCCO |
| Synonym | diethylene glycol monoethyl ether,2-2-ethoxyethoxy ethanol,carbitol,transcutol,ethoxy diglycol,dioxitol,ethyl carbitol,ethyl digol,carbitol solvent,ethanol, 2-2-ethoxyethoxy |
| IUPAC Name | 2-(2-ethoxyethoxy)ethanol |
| InChI Key | XXJWXESWEXIICW-UHFFFAOYSA-N |
D(-)-Fructose, specified according the requirements of USP
CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N Synonym: d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 PubChem CID: 5984 ChEBI: CHEBI:48095 IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: C(C(C(C(C(=O)CO)O)O)O)O
| PubChem CID | 5984 |
|---|---|
| CAS | 57-48-7 |
| Molecular Weight (g/mol) | 180.16 |
| ChEBI | CHEBI:48095 |
| SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
| Synonym | d---fructose,d--fructose,3s,4r,5r-1,3,4,5,6-pentahydroxyhexan-2-one,furucton,arabino-hexulose,keto-d-fructose,d-levulose,sugar, fruit,fructose, d,krystar 300 |
| IUPAC Name | (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
| InChI Key | BJHIKXHVCXFQLS-UYFOZJQFSA-N |
| Molecular Formula | C6H12O6 |
Diethyl malonate, 99+%
CAS: 105-53-3 Molecular Formula: C7H12O4 Molecular Weight (g/mol): 160.17 InChI Key: IYXGSMUGOJNHAZ-UHFFFAOYSA-N Synonym: diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van PubChem CID: 7761 IUPAC Name: diethyl propanedioate SMILES: CCOC(=O)CC(=O)OCC
| PubChem CID | 7761 |
|---|---|
| CAS | 105-53-3 |
| Molecular Weight (g/mol) | 160.17 |
| SMILES | CCOC(=O)CC(=O)OCC |
| Synonym | diethyl malonate,malonic ester,propanedioic acid, diethyl ester,dicarbethoxymethane,malonic acid, diethyl ester,carbethoxyacetic ester,malonic acid diethyl ester,1,3-diethyl propanedioate,ethyl propanedioate,ethyl malonate van |
| IUPAC Name | diethyl propanedioate |
| InChI Key | IYXGSMUGOJNHAZ-UHFFFAOYSA-N |
| Molecular Formula | C7H12O4 |