Organooxygen compounds
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Phenethyl alcohol, 99%
CAS: 60-12-8 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.17 MDL Number: MFCD00002886 InChI Key: WRMNZCZEMHIOCP-UHFFFAOYSA-N Synonym: phenethyl alcohol,benzeneethanol,phenylethyl alcohol,benzyl carbinol,phenylethanol,phenethanol,2-phenylethyl alcohol,2-phenyl-ethanol,beta-phenylethanol,2-phenylethan-1-ol PubChem CID: 6054 ChEBI: CHEBI:49000 SMILES: OCCC1=CC=CC=C1
| PubChem CID | 6054 |
|---|---|
| CAS | 60-12-8 |
| Molecular Weight (g/mol) | 122.17 |
| ChEBI | CHEBI:49000 |
| MDL Number | MFCD00002886 |
| SMILES | OCCC1=CC=CC=C1 |
| Synonym | phenethyl alcohol,benzeneethanol,phenylethyl alcohol,benzyl carbinol,phenylethanol,phenethanol,2-phenylethyl alcohol,2-phenyl-ethanol,beta-phenylethanol,2-phenylethan-1-ol |
| InChI Key | WRMNZCZEMHIOCP-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
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 |
Indole-3-carboxaldehyde, 99%
CAS: 487-89-8 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.161 MDL Number: MFCD00005622 InChI Key: OLNJUISKUQQNIM-UHFFFAOYSA-N Synonym: indole-3-carboxaldehyde,3-formylindole,1h-indole-3-carboxaldehyde,indole-3-aldehyde,indole-3-carbaldehyde,indole-3-carboxyaldehyde,3-indolecarboxaldehyde,beta-indolylaldehyde,3-indolecarbaldehyde,indol-3-carboxaldehyde PubChem CID: 10256 ChEBI: CHEBI:28238 IUPAC Name: 1H-indole-3-carbaldehyde SMILES: C1=CC=C2C(=C1)C(=CN2)C=O
| PubChem CID | 10256 |
|---|---|
| CAS | 487-89-8 |
| Molecular Weight (g/mol) | 145.161 |
| ChEBI | CHEBI:28238 |
| MDL Number | MFCD00005622 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)C=O |
| Synonym | indole-3-carboxaldehyde,3-formylindole,1h-indole-3-carboxaldehyde,indole-3-aldehyde,indole-3-carbaldehyde,indole-3-carboxyaldehyde,3-indolecarboxaldehyde,beta-indolylaldehyde,3-indolecarbaldehyde,indol-3-carboxaldehyde |
| IUPAC Name | 1H-indole-3-carbaldehyde |
| InChI Key | OLNJUISKUQQNIM-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
Thermo Scientific Chemicals Glyoxal, pure, 40 wt.% solution in water
CAS: 107-22-2 | C2H2O2 | 58.04 g/mol
| Viscosity | 8 mPa.s (20°C) |
|---|---|
| Linear Formula | HCOCHO |
| Molecular Weight (g/mol) | 58.04 |
| ChEBI | CHEBI:34779 |
| InChI Key | LEQAOMBKQFMDFZ-UHFFFAOYSA-N |
| Density | 1.2650g/mL |
| PubChem CID | 7860 |
| Name Note | 40 wt.% Solution in Water |
| Percent Purity | 39 to 41% (Titrimetry other) |
| Fieser | 01,413 |
| Formula Weight | 58.04 |
| Melting Point | -14.0°C |
| Boiling Point | 104.0°C |
| Color | Colorless to Yellow |
| Physical Form | Liquid |
| Chemical Name or Material | Glyoxal |
| Grade | Pure |
| SMILES | C(=O)C=O |
| Merck Index | 15, 4544 |
| CAS | 7732-18-5 |
| Health Hazard 3 | GHS P Statement IF INHALED: Remove to fresh air and keep at rest in a position comfortable for breathing. Call a POISON CENTER or doctor/physician if you feel unwell. IF ON SKIN: Wash with plenty of soap and water. If skin irritatio |
| MDL Number | MFCD00006957 |
| Health Hazard 2 | GHS H Statement Suspected of causing genetic defects if inhaled. Harmful if inhaled. Causes serious eye irritation. Causes skin irritation. May cause an allergic skin reaction. May cause respiratory irritation. |
| Solubility Information | Solubility in water: miscible. |
| Flash Point | >104°C |
| Health Hazard 1 | GHS Signal Word: Warning |
| Synonym | glyoxal,ethanedial,oxalaldehyde,1,2-ethanedione,glyoxylaldehyde,biformal,biformyl,diformal,diformyl,aerotex glyoxal 40 |
| Recommended Storage | May darken during storage |
| IUPAC Name | oxaldehyde |
| Beilstein | 01, 759 |
| Molecular Formula | C2H2O2 |
| EINECS Number | 203-474-9 |
| Specific Gravity | 1.265 |
myo-Inositol, 99%
CAS: 87-89-8 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.156 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) | 180.156 |
| 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 |
Diethylene glycol monoethyl ether acetate, 99%
CAS: 112-15-2 Molecular Formula: C8H16O4 Molecular Weight (g/mol): 176.21 MDL Number: MFCD00041928 InChI Key: FPZWZCWUIYYYBU-UHFFFAOYSA-N Synonym: carbitol acetate,2-2-ethoxyethoxy ethyl acetate,diethylene glycol monoethyl ether acetate,ektasolve de acetate,karbitolacetat,ethoxydiglycol acetate,glycol ether de acetate,diglycol monoethyl ether acetate,ethanol, 2-2-ethoxyethoxy-, acetate,ethyldiglycol acetate PubChem CID: 8165 IUPAC Name: 2-(2-ethoxyethoxy)ethyl acetate SMILES: CCOCCOCCOC(C)=O
| PubChem CID | 8165 |
|---|---|
| CAS | 112-15-2 |
| Molecular Weight (g/mol) | 176.21 |
| MDL Number | MFCD00041928 |
| SMILES | CCOCCOCCOC(C)=O |
| Synonym | carbitol acetate,2-2-ethoxyethoxy ethyl acetate,diethylene glycol monoethyl ether acetate,ektasolve de acetate,karbitolacetat,ethoxydiglycol acetate,glycol ether de acetate,diglycol monoethyl ether acetate,ethanol, 2-2-ethoxyethoxy-, acetate,ethyldiglycol acetate |
| IUPAC Name | 2-(2-ethoxyethoxy)ethyl acetate |
| InChI Key | FPZWZCWUIYYYBU-UHFFFAOYSA-N |
| Molecular Formula | C8H16O4 |
Triethylene glycol, 99%
CAS: 112-27-6 Molecular Formula: C6H14O4 Molecular Weight (g/mol): 150.17 MDL Number: MFCD00002880,MFCD00081839,MFCD01779596,MFCD01779599,MFCD01779601,MFCD01779603,MFCD01779605,MFCD01779609,MFCD01779611,MFCD01779612,MFCD01779614,MFCD01779615,MFCD01779616 InChI Key: ZIBGPFATKBEMQZ-UHFFFAOYSA-N Synonym: triethylene glycol,triglycol,2,2'-ethane-1,2-diylbis oxy diethanol,trigen,triethylenglykol,triethyleneglycol,2,2'-ethylenedioxydiethanol,1,2-bis 2-hydroxyethoxy ethane,3,6-dioxaoctane-1,8-diol,2,2'-ethylenedioxy diethanol PubChem CID: 8172 ChEBI: CHEBI:44926 IUPAC Name: 2-[2-(2-hydroxyethoxy)ethoxy]ethanol SMILES: OCCOCCOCCO
| PubChem CID | 8172 |
|---|---|
| CAS | 112-27-6 |
| Molecular Weight (g/mol) | 150.17 |
| ChEBI | CHEBI:44926 |
| MDL Number | MFCD00002880,MFCD00081839,MFCD01779596,MFCD01779599,MFCD01779601,MFCD01779603,MFCD01779605,MFCD01779609,MFCD01779611,MFCD01779612,MFCD01779614,MFCD01779615,MFCD01779616 |
| SMILES | OCCOCCOCCO |
| Synonym | triethylene glycol,triglycol,2,2'-ethane-1,2-diylbis oxy diethanol,trigen,triethylenglykol,triethyleneglycol,2,2'-ethylenedioxydiethanol,1,2-bis 2-hydroxyethoxy ethane,3,6-dioxaoctane-1,8-diol,2,2'-ethylenedioxy diethanol |
| IUPAC Name | 2-[2-(2-hydroxyethoxy)ethoxy]ethanol |
| InChI Key | ZIBGPFATKBEMQZ-UHFFFAOYSA-N |
| Molecular Formula | C6H14O4 |
1-Pentanol, 99%, pure
CAS: 71-41-0 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00002977,MFCD00081734,MFCD01075169 InChI Key: AMQJEAYHLZJPGS-UHFFFAOYSA-N Synonym: 1-pentanol,amyl alcohol,n-amyl alcohol,n-pentanol,pentanol,pentyl alcohol,butylcarbinol,1-pentyl alcohol,amylol,n-butylcarbinol PubChem CID: 6276 ChEBI: CHEBI:44884 IUPAC Name: pentan-1-ol SMILES: CCCCCO
| PubChem CID | 6276 |
|---|---|
| CAS | 71-41-0 |
| Molecular Weight (g/mol) | 88.15 |
| ChEBI | CHEBI:44884 |
| MDL Number | MFCD00002977,MFCD00081734,MFCD01075169 |
| SMILES | CCCCCO |
| Synonym | 1-pentanol,amyl alcohol,n-amyl alcohol,n-pentanol,pentanol,pentyl alcohol,butylcarbinol,1-pentyl alcohol,amylol,n-butylcarbinol |
| IUPAC Name | pentan-1-ol |
| InChI Key | AMQJEAYHLZJPGS-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
Pyrogallol, 98+%
CAS: 87-66-1 Molecular Formula: C6H6O3 Molecular Weight (g/mol): 126.11 MDL Number: MFCD00002192 InChI Key: WQGWDDDVZFFDIG-UHFFFAOYSA-N Synonym: pyrogallol,1,2,3-trihydroxybenzene,pyrogallic acid,1,2,3-benzenetriol,fouramine brown ap,fourrine pg,fourrine 85,pyro,c.i. oxidation base 32,piral PubChem CID: 1057 ChEBI: CHEBI:16164 IUPAC Name: benzene-1,2,3-triol SMILES: OC1=CC=CC(O)=C1O
| PubChem CID | 1057 |
|---|---|
| CAS | 87-66-1 |
| Molecular Weight (g/mol) | 126.11 |
| ChEBI | CHEBI:16164 |
| MDL Number | MFCD00002192 |
| SMILES | OC1=CC=CC(O)=C1O |
| Synonym | pyrogallol,1,2,3-trihydroxybenzene,pyrogallic acid,1,2,3-benzenetriol,fouramine brown ap,fourrine pg,fourrine 85,pyro,c.i. oxidation base 32,piral |
| IUPAC Name | benzene-1,2,3-triol |
| InChI Key | WQGWDDDVZFFDIG-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3 |
Prostaglandin E2, 98%
CAS: 363-24-6 Molecular Formula: C20H32O5 Molecular Weight (g/mol): 352.47 MDL Number: MFCD00077861 InChI Key: XEYBRNLFEZDVAW-ARSRFYASSA-N Synonym: prostaglandin e2,dinoprostone,pge2,prostin e2,prepidil,cervidil,propess,minprositin e2,minprostin e2,dinoproston PubChem CID: 5280360 ChEBI: CHEBI:15551 IUPAC Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid SMILES: CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O
| PubChem CID | 5280360 |
|---|---|
| CAS | 363-24-6 |
| Molecular Weight (g/mol) | 352.47 |
| ChEBI | CHEBI:15551 |
| MDL Number | MFCD00077861 |
| SMILES | CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O |
| Synonym | prostaglandin e2,dinoprostone,pge2,prostin e2,prepidil,cervidil,propess,minprositin e2,minprostin e2,dinoproston |
| IUPAC Name | (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid |
| InChI Key | XEYBRNLFEZDVAW-ARSRFYASSA-N |
| Molecular Formula | C20H32O5 |
3-Methoxypropionitrile, 99%
CAS: 110-67-8 Molecular Formula: C4H7NO Molecular Weight (g/mol): 85.106 MDL Number: MFCD00001958 InChI Key: OOWFYDWAMOKVSF-UHFFFAOYSA-N Synonym: 3-methoxypropionitrile,propanenitrile, 3-methoxy,2-cyanoethyl methyl ether,3-methoxypropylnitrile,beta-methoxypropionitrile,1-cyano-2-methoxyethane,propionitrile, 3-methoxy,3-methoxypropannitril,3-methoxypropiononitrile,beta-methyoxypropionitrile PubChem CID: 61032 IUPAC Name: 3-methoxypropanenitrile SMILES: COCCC#N
| PubChem CID | 61032 |
|---|---|
| CAS | 110-67-8 |
| Molecular Weight (g/mol) | 85.106 |
| MDL Number | MFCD00001958 |
| SMILES | COCCC#N |
| Synonym | 3-methoxypropionitrile,propanenitrile, 3-methoxy,2-cyanoethyl methyl ether,3-methoxypropylnitrile,beta-methoxypropionitrile,1-cyano-2-methoxyethane,propionitrile, 3-methoxy,3-methoxypropannitril,3-methoxypropiononitrile,beta-methyoxypropionitrile |
| IUPAC Name | 3-methoxypropanenitrile |
| InChI Key | OOWFYDWAMOKVSF-UHFFFAOYSA-N |
| Molecular Formula | C4H7NO |
Propionaldehyde, 99+%, AcroSeal™
CAS: 123-38-6 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00007020 InChI Key: NBBJYMSMWIIQGU-UHFFFAOYSA-N Synonym: propionaldehyde,propanaldehyde,propaldehyde,propional,propionic aldehyde,n-propanal,methylacetaldehyde,propylaldehyde,propylic aldehyde,aldehyde propionique PubChem CID: 527 ChEBI: CHEBI:17153 IUPAC Name: propanal SMILES: CCC=O
| PubChem CID | 527 |
|---|---|
| CAS | 123-38-6 |
| Molecular Weight (g/mol) | 58.08 |
| ChEBI | CHEBI:17153 |
| MDL Number | MFCD00007020 |
| SMILES | CCC=O |
| Synonym | propionaldehyde,propanaldehyde,propaldehyde,propional,propionic aldehyde,n-propanal,methylacetaldehyde,propylaldehyde,propylic aldehyde,aldehyde propionique |
| IUPAC Name | propanal |
| InChI Key | NBBJYMSMWIIQGU-UHFFFAOYSA-N |
| Molecular Formula | C3H6O |
3-Pyridinecarboxaldehyde, 98%
CAS: 500-22-1 Molecular Formula: C6H5NO Molecular Weight (g/mol): 107.11 InChI Key: QJZUKDFHGGYHMC-UHFFFAOYSA-N Synonym: 3-pyridinecarboxaldehyde,nicotinaldehyde,3-pyridinaldehyde,pyridine-3-carboxaldehyde,3-pyridylcarboxaldehyde,3-pyridylaldehyde,nicotinealdehyde,3-formylpyridine,pyridine-3-aldehyde,nicotinic aldehyde PubChem CID: 10371 ChEBI: CHEBI:28345 IUPAC Name: pyridine-3-carbaldehyde SMILES: C1=CC(=CN=C1)C=O
| PubChem CID | 10371 |
|---|---|
| CAS | 500-22-1 |
| Molecular Weight (g/mol) | 107.11 |
| ChEBI | CHEBI:28345 |
| SMILES | C1=CC(=CN=C1)C=O |
| Synonym | 3-pyridinecarboxaldehyde,nicotinaldehyde,3-pyridinaldehyde,pyridine-3-carboxaldehyde,3-pyridylcarboxaldehyde,3-pyridylaldehyde,nicotinealdehyde,3-formylpyridine,pyridine-3-aldehyde,nicotinic aldehyde |
| IUPAC Name | pyridine-3-carbaldehyde |
| InChI Key | QJZUKDFHGGYHMC-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO |
Solketal, 97%
CAS: 100-79-8 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.16 MDL Number: MFCD00063238 InChI Key: RNVYQYLELCKWAN-UHFFFAOYSA-N Synonym: solketal,2,2-dimethyl-1,3-dioxolane-4-methanol,2,2-dimethyl-1,3-dioxolan-4-yl methanol,glycerolacetone,dioxolan,isopropylidene glycerol,1,2-isopropylideneglycerol,1,2-o-isopropylideneglycerol,1,3-dioxolane-4-methanol, 2,2-dimethyl,glycerol dimethylketal PubChem CID: 7528 IUPAC Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methanol SMILES: CC1(OCC(O1)CO)C
| PubChem CID | 7528 |
|---|---|
| CAS | 100-79-8 |
| Molecular Weight (g/mol) | 132.16 |
| MDL Number | MFCD00063238 |
| SMILES | CC1(OCC(O1)CO)C |
| Synonym | solketal,2,2-dimethyl-1,3-dioxolane-4-methanol,2,2-dimethyl-1,3-dioxolan-4-yl methanol,glycerolacetone,dioxolan,isopropylidene glycerol,1,2-isopropylideneglycerol,1,2-o-isopropylideneglycerol,1,3-dioxolane-4-methanol, 2,2-dimethyl,glycerol dimethylketal |
| IUPAC Name | (2,2-dimethyl-1,3-dioxolan-4-yl)methanol |
| InChI Key | RNVYQYLELCKWAN-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
Glycerol monostearate, purified
CAS: 31566-31-1 Molecular Formula: C21H42O4 Molecular Weight (g/mol): 358.563 MDL Number: MFCD00036186 InChI Key: VBICKXHEKHSIBG-UHFFFAOYSA-N Synonym: glyceryl monostearate,monostearin,glyceryl stearate,1-stearoyl-rac-glycerol,tegin,1-monostearin,1-glyceryl stearate,glycerol monostearate,1-monostearoylglycerol,octadecanoic acid, 2,3-dihydroxypropyl ester PubChem CID: 24699 ChEBI: CHEBI:75555 IUPAC Name: 2,3-dihydroxypropyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
| PubChem CID | 24699 |
|---|---|
| CAS | 31566-31-1 |
| Molecular Weight (g/mol) | 358.563 |
| ChEBI | CHEBI:75555 |
| MDL Number | MFCD00036186 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O |
| Synonym | glyceryl monostearate,monostearin,glyceryl stearate,1-stearoyl-rac-glycerol,tegin,1-monostearin,1-glyceryl stearate,glycerol monostearate,1-monostearoylglycerol,octadecanoic acid, 2,3-dihydroxypropyl ester |
| IUPAC Name | 2,3-dihydroxypropyl octadecanoate |
| InChI Key | VBICKXHEKHSIBG-UHFFFAOYSA-N |
| Molecular Formula | C21H42O4 |