Organooxygen compounds
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Propiophenone, 99%
CAS: 93-55-0 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 InChI Key: KRIOVPPHQSLHCZ-UHFFFAOYSA-N Synonym: propiophenone,ethyl phenyl ketone,propionylbenzene,1-phenyl-1-propanone,1-propanone, 1-phenyl,phenyl ethyl ketone,ketone, ethyl phenyl,propionphenone,usaf ek-1235,1-phenyl-propan-1-one PubChem CID: 7148 ChEBI: CHEBI:425902 IUPAC Name: 1-phenylpropan-1-one SMILES: CCC(=O)C1=CC=CC=C1
| PubChem CID | 7148 |
|---|---|
| CAS | 93-55-0 |
| Molecular Weight (g/mol) | 134.18 |
| ChEBI | CHEBI:425902 |
| SMILES | CCC(=O)C1=CC=CC=C1 |
| Synonym | propiophenone,ethyl phenyl ketone,propionylbenzene,1-phenyl-1-propanone,1-propanone, 1-phenyl,phenyl ethyl ketone,ketone, ethyl phenyl,propionphenone,usaf ek-1235,1-phenyl-propan-1-one |
| IUPAC Name | 1-phenylpropan-1-one |
| InChI Key | KRIOVPPHQSLHCZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
tert-Butyl alcohol, 99%
CAS: 75-65-0 Molecular Formula: C4H10O Molecular Weight (g/mol): 74.123 MDL Number: MFCD00004464 InChI Key: DKGAVHZHDRPRBM-UHFFFAOYSA-N Synonym: tert-butanol,tert-butyl alcohol,2-methyl-2-propanol,t-butanol,t-butyl hydroxide,1,1-dimethylethanol,trimethylcarbinol,trimethyl methanol,2-propanol, 2-methyl,t-butyl alcohol PubChem CID: 6386 ChEBI: CHEBI:45895 IUPAC Name: 2-methylpropan-2-ol SMILES: CC(C)(C)O
| PubChem CID | 6386 |
|---|---|
| CAS | 75-65-0 |
| Molecular Weight (g/mol) | 74.123 |
| ChEBI | CHEBI:45895 |
| MDL Number | MFCD00004464 |
| SMILES | CC(C)(C)O |
| Synonym | tert-butanol,tert-butyl alcohol,2-methyl-2-propanol,t-butanol,t-butyl hydroxide,1,1-dimethylethanol,trimethylcarbinol,trimethyl methanol,2-propanol, 2-methyl,t-butyl alcohol |
| IUPAC Name | 2-methylpropan-2-ol |
| InChI Key | DKGAVHZHDRPRBM-UHFFFAOYSA-N |
| Molecular Formula | C4H10O |
2-Mercaptoethanol Molecular Biology MP Biomedicals
CAS: 60-24-2 Molecular Formula: C2H6OS Molecular Weight (g/mol): 78.13 MDL Number: MFCD00004890 InChI Key: DGVVWUTYPXICAM-UHFFFAOYSA-N Synonym: 2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan PubChem CID: 1567 ChEBI: CHEBI:41218 IUPAC Name: 2-sulfanylethan-1-ol SMILES: OCCS
| PubChem CID | 1567 |
|---|---|
| CAS | 60-24-2 |
| Molecular Weight (g/mol) | 78.13 |
| ChEBI | CHEBI:41218 |
| MDL Number | MFCD00004890 |
| SMILES | OCCS |
| Synonym | 2-mercaptoethanol,mercaptoethanol,thioglycol,beta-mercaptoethanol,ethanol, 2-mercapto,2-thioethanol,2-hydroxy-1-ethanethiol,thioethylene glycol,2-hydroxyethanethiol,2-hydroxyethyl mercaptan |
| IUPAC Name | 2-sulfanylethan-1-ol |
| InChI Key | DGVVWUTYPXICAM-UHFFFAOYSA-N |
| Molecular Formula | C2H6OS |
18-Crown-6, 99%
CAS: 17455-13-9 Molecular Formula: C12H24O6 Molecular Weight (g/mol): 264.32 MDL Number: MFCD00005113 InChI Key: XEZNGIUYQVAUSS-UHFFFAOYSA-N Synonym: 18-crown-6,18-crown-6 ether,ethylene oxide cyclic hexamer,18-crown-6-ether,unii-63j177nc5b,ccris 3587,18-crown 6-ether,1,4,7,10,13,16-hexanoxacyclooctadecane,18-crown-6/1,4,7,10,13,16-hexaoxacyclooctadecane PubChem CID: 28557 ChEBI: CHEBI:32397 IUPAC Name: 1,4,7,10,13,16-hexaoxacyclooctadecane SMILES: C1COCCOCCOCCOCCOCCO1
| PubChem CID | 28557 |
|---|---|
| CAS | 17455-13-9 |
| Molecular Weight (g/mol) | 264.32 |
| ChEBI | CHEBI:32397 |
| MDL Number | MFCD00005113 |
| SMILES | C1COCCOCCOCCOCCOCCO1 |
| Synonym | 18-crown-6,18-crown-6 ether,ethylene oxide cyclic hexamer,18-crown-6-ether,unii-63j177nc5b,ccris 3587,18-crown 6-ether,1,4,7,10,13,16-hexanoxacyclooctadecane,18-crown-6/1,4,7,10,13,16-hexaoxacyclooctadecane |
| IUPAC Name | 1,4,7,10,13,16-hexaoxacyclooctadecane |
| InChI Key | XEZNGIUYQVAUSS-UHFFFAOYSA-N |
| Molecular Formula | C12H24O6 |
Vanillin, 99%, pure
CAS: 121-33-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00006942,MFCD08702848 InChI Key: MWOOGOJBHIARFG-UHFFFAOYSA-N Synonym: vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde PubChem CID: 1183 ChEBI: CHEBI:18346 IUPAC Name: 4-hydroxy-3-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1O
| PubChem CID | 1183 |
|---|---|
| CAS | 121-33-5 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:18346 |
| MDL Number | MFCD00006942,MFCD08702848 |
| SMILES | COC1=CC(C=O)=CC=C1O |
| Synonym | vanillin,vanillaldehyde,vanillic aldehyde,vanilla,p-vanillin,2-methoxy-4-formylphenol,vanilline,lioxin,4-hydroxy-m-anisaldehyde,3-methoxy-4-hydroxybenzaldehyde |
| IUPAC Name | 4-hydroxy-3-methoxybenzaldehyde |
| InChI Key | MWOOGOJBHIARFG-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
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 |
Malonic acid, 99%
CAS: 141-82-2 Molecular Formula: C3H4O4 Molecular Weight (g/mol): 104.06 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) | 104.06 |
| ChEBI | CHEBI:30794 |
| 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 |
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 |
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 |
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 |
2,6-Dichloroindophenol sodium salt hydrate
CAS: 1266615-56-8 Molecular Formula: C12H6Cl2NNaO2 Molecular Weight (g/mol): 290.07 MDL Number: MFCD00150014 InChI Key: FHLDWQLHDYCXKI-UHFFFAOYSA-M Synonym: 2,6-dichloroindophenol sodium salt,2,6-dichlorophenolindophenol sodium salt,tillman's reagent,tillman's reagenz,dichlorphenol-indophenolnatrium,2,6-dichloroindophenol sodium,unii-kad7q8xo1y,sodium 2,6-dichloroindophenol,sodium 2,6-dichloroindophenolate,2,6-dichloroindophenol, sodium salt PubChem CID: 23697355 ChEBI: CHEBI:948 IUPAC Name: sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate SMILES: [Na+].[O-]C1=C(Cl)C=C(C=C1Cl)N=C1C=CC(=O)C=C1
| PubChem CID | 23697355 |
|---|---|
| CAS | 1266615-56-8 |
| Molecular Weight (g/mol) | 290.07 |
| ChEBI | CHEBI:948 |
| MDL Number | MFCD00150014 |
| SMILES | [Na+].[O-]C1=C(Cl)C=C(C=C1Cl)N=C1C=CC(=O)C=C1 |
| Synonym | 2,6-dichloroindophenol sodium salt,2,6-dichlorophenolindophenol sodium salt,tillman's reagent,tillman's reagenz,dichlorphenol-indophenolnatrium,2,6-dichloroindophenol sodium,unii-kad7q8xo1y,sodium 2,6-dichloroindophenol,sodium 2,6-dichloroindophenolate,2,6-dichloroindophenol, sodium salt |
| IUPAC Name | sodium;4-[(3,5-dichloro-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenolate |
| InChI Key | FHLDWQLHDYCXKI-UHFFFAOYSA-M |
| Molecular Formula | C12H6Cl2NNaO2 |
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 |
Isoamyl Alcohol, MP Biomedicals™
CAS: 123-51-3 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 InChI Key: PHTQWCKDNZKARW-UHFFFAOYSA-N Synonym: 3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol PubChem CID: 31260 ChEBI: CHEBI:15837 IUPAC Name: 3-methylbutan-1-ol SMILES: CC(C)CCO
| PubChem CID | 31260 |
|---|---|
| CAS | 123-51-3 |
| Molecular Weight (g/mol) | 88.15 |
| ChEBI | CHEBI:15837 |
| SMILES | CC(C)CCO |
| Synonym | 3-methyl-1-butanol,isoamyl alcohol,isopentyl alcohol,isopentanol,3-methylbutanol,1-butanol, 3-methyl,isoamylol,isobutylcarbinol,iso-amylalkohol,isobutyl carbinol |
| IUPAC Name | 3-methylbutan-1-ol |
| InChI Key | PHTQWCKDNZKARW-UHFFFAOYSA-N |
| Molecular Formula | C5H12O |
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 |
2-Butoxyethanol, 99%, extra pure
CAS: 111-76-2 Molecular Formula: C6H14O2 Molecular Weight (g/mol): 118.18 MDL Number: MFCD00002884 InChI Key: POAOYUHQDCAZBD-UHFFFAOYSA-N Synonym: butoxyethanol,butyl glycol,butyl cellosolve,ethylene glycol monobutyl ether,n-butoxyethanol,ethanol, 2-butoxy,ethylene glycol butyl ether,butyl oxitol,glycol butyl ether,glycol ether eb PubChem CID: 8133 ChEBI: CHEBI:63921 SMILES: CCCCOCCO
| PubChem CID | 8133 |
|---|---|
| CAS | 111-76-2 |
| Molecular Weight (g/mol) | 118.18 |
| ChEBI | CHEBI:63921 |
| MDL Number | MFCD00002884 |
| SMILES | CCCCOCCO |
| Synonym | butoxyethanol,butyl glycol,butyl cellosolve,ethylene glycol monobutyl ether,n-butoxyethanol,ethanol, 2-butoxy,ethylene glycol butyl ether,butyl oxitol,glycol butyl ether,glycol ether eb |
| InChI Key | POAOYUHQDCAZBD-UHFFFAOYSA-N |
| Molecular Formula | C6H14O2 |