Organooxygen compounds
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Allyl alcohol, 98+%
CAS: 107-18-6 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00002920 InChI Key: XXROGKLTLUQVRX-UHFFFAOYSA-N Synonym: allyl alcohol,2-propen-1-ol,vinylcarbinol,2-propenyl alcohol,3-hydroxypropene,2-propenol,allylic alcohol,1-propen-3-ol,vinyl carbinol,weed drench PubChem CID: 7858 ChEBI: CHEBI:16605 IUPAC Name: prop-2-en-1-ol SMILES: OCC=C
| PubChem CID | 7858 |
|---|---|
| CAS | 107-18-6 |
| Molecular Weight (g/mol) | 58.08 |
| ChEBI | CHEBI:16605 |
| MDL Number | MFCD00002920 |
| SMILES | OCC=C |
| Synonym | allyl alcohol,2-propen-1-ol,vinylcarbinol,2-propenyl alcohol,3-hydroxypropene,2-propenol,allylic alcohol,1-propen-3-ol,vinyl carbinol,weed drench |
| IUPAC Name | prop-2-en-1-ol |
| InChI Key | XXROGKLTLUQVRX-UHFFFAOYSA-N |
| Molecular Formula | C3H6O |
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 |
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 |
1-Propanol, HPLC Grade, 99% min
CAS: 71-23-8 Molecular Formula: C3H8O Molecular Weight (g/mol): 60.10 MDL Number: MFCD00002941 InChI Key: BDERNNFJNOPAEC-UHFFFAOYSA-N Synonym: 1-propanol,propanol,propyl alcohol,n-propanol,n-propyl alcohol,ethylcarbinol,1-hydroxypropane,optal,osmosol extra,propylic alcohol PubChem CID: 1031 ChEBI: CHEBI:28831 IUPAC Name: propan-1-ol SMILES: CCCO
| PubChem CID | 1031 |
|---|---|
| CAS | 71-23-8 |
| Molecular Weight (g/mol) | 60.10 |
| ChEBI | CHEBI:28831 |
| MDL Number | MFCD00002941 |
| SMILES | CCCO |
| Synonym | 1-propanol,propanol,propyl alcohol,n-propanol,n-propyl alcohol,ethylcarbinol,1-hydroxypropane,optal,osmosol extra,propylic alcohol |
| IUPAC Name | propan-1-ol |
| InChI Key | BDERNNFJNOPAEC-UHFFFAOYSA-N |
| Molecular Formula | C3H8O |
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 |
Pyruvic acid, 98%
CAS: 127-17-3 Molecular Formula: C3H4O3 Molecular Weight (g/mol): 88.06 MDL Number: MFCD00002585 InChI Key: LCTONWCANYUPML-UHFFFAOYSA-N Synonym: pyruvic acid,pyroracemic acid,2-oxopropionic acid,acetylformic acid,alpha-ketopropionic acid,2-ketopropionic acid,2-oxopropanoate,propanoic acid, 2-oxo,2-oxo-propionic acid,2-oxopropansaeure PubChem CID: 1060 ChEBI: CHEBI:32816 IUPAC Name: 2-oxopropanoic acid SMILES: CC(=O)C(O)=O
| PubChem CID | 1060 |
|---|---|
| CAS | 127-17-3 |
| Molecular Weight (g/mol) | 88.06 |
| ChEBI | CHEBI:32816 |
| MDL Number | MFCD00002585 |
| SMILES | CC(=O)C(O)=O |
| Synonym | pyruvic acid,pyroracemic acid,2-oxopropionic acid,acetylformic acid,alpha-ketopropionic acid,2-ketopropionic acid,2-oxopropanoate,propanoic acid, 2-oxo,2-oxo-propionic acid,2-oxopropansaeure |
| IUPAC Name | 2-oxopropanoic acid |
| InChI Key | LCTONWCANYUPML-UHFFFAOYSA-N |
| Molecular Formula | C3H4O3 |
Butyraldehyde, 99%
CAS: 123-72-8 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.11 MDL Number: MFCD00007023 InChI Key: ZTQSAGDEMFDKMZ-UHFFFAOYSA-N Synonym: butyraldehyde,n-butyraldehyde,butyral,1-butanal,butyric aldehyde,butanaldehyde,butaldehyde,butalyde,butal,n-butanal PubChem CID: 261 ChEBI: CHEBI:15743 IUPAC Name: butanal SMILES: CCCC=O
| PubChem CID | 261 |
|---|---|
| CAS | 123-72-8 |
| Molecular Weight (g/mol) | 72.11 |
| ChEBI | CHEBI:15743 |
| MDL Number | MFCD00007023 |
| SMILES | CCCC=O |
| Synonym | butyraldehyde,n-butyraldehyde,butyral,1-butanal,butyric aldehyde,butanaldehyde,butaldehyde,butalyde,butal,n-butanal |
| IUPAC Name | butanal |
| InChI Key | ZTQSAGDEMFDKMZ-UHFFFAOYSA-N |
| Molecular Formula | C4H8O |
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 |
(±)-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 |
Diacetyl 98.0+%, TCI America™
CAS: 431-03-8 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00008756 InChI Key: QSJXEFYPDANLFS-UHFFFAOYSA-N Synonym: 2,3-butanedione,diacetyl,biacetyl,dimethylglyoxal,2,3-diketobutane,dimethyl glyoxal,butanedione,dimethyl diketone,2,3-butadione,2,3-dioxobutane PubChem CID: 650 ChEBI: CHEBI:16583 IUPAC Name: butane-2,3-dione SMILES: CC(=O)C(=O)C
| PubChem CID | 650 |
|---|---|
| CAS | 431-03-8 |
| Molecular Weight (g/mol) | 86.09 |
| ChEBI | CHEBI:16583 |
| MDL Number | MFCD00008756 |
| SMILES | CC(=O)C(=O)C |
| Synonym | 2,3-butanedione,diacetyl,biacetyl,dimethylglyoxal,2,3-diketobutane,dimethyl glyoxal,butanedione,dimethyl diketone,2,3-butadione,2,3-dioxobutane |
| IUPAC Name | butane-2,3-dione |
| InChI Key | QSJXEFYPDANLFS-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2 |
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 |
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 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 |
| InChI Key | ZIBGPFATKBEMQZ-UHFFFAOYSA-N |
| Molecular Formula | C6H14O4 |
Diethylene Glycol 99.5+%, TCI America™
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 IUPAC Name: 2-(2-hydroxyethoxy)ethan-1-ol 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 |
| IUPAC Name | 2-(2-hydroxyethoxy)ethan-1-ol |
| InChI Key | MTHSVFCYNBDYFN-UHFFFAOYSA-N |
| Molecular Formula | C4H10O3 |
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 |
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 |