Organooxygen compounds
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Acetaldehyde, 99.5%, extra pure, AcroSeal™
CAS: 75-07-0 Molecular Formula: C2H4O Molecular Weight (g/mol): 44.04 MDL Number: MFCD00006991 InChI Key: IKHGUXGNUITLKF-UHFFFAOYSA-N Synonym: ethanal,acetic aldehyde,ethyl aldehyde,acetaldehyd,acetylaldehyde,aldehyde,acetic ethanol,aldeide acetica,octowy aldehyd,aldehyde acetique PubChem CID: 177 ChEBI: CHEBI:15343 IUPAC Name: acetaldehyde SMILES: CC=O
| PubChem CID | 177 |
|---|---|
| CAS | 75-07-0 |
| Molecular Weight (g/mol) | 44.04 |
| ChEBI | CHEBI:15343 |
| MDL Number | MFCD00006991 |
| SMILES | CC=O |
| Synonym | ethanal,acetic aldehyde,ethyl aldehyde,acetaldehyd,acetylaldehyde,aldehyde,acetic ethanol,aldeide acetica,octowy aldehyd,aldehyde acetique |
| IUPAC Name | acetaldehyde |
| InChI Key | IKHGUXGNUITLKF-UHFFFAOYSA-N |
| Molecular Formula | C2H4O |
2-Butyne-1,4-diol, 99%
CAS: 110-65-6 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00002915 InChI Key: DLDJFQGPPSQZKI-UHFFFAOYSA-N Synonym: 2-butyne-1,4-diol,butynediol,1,4-dihydroxy-2-butyne,1,4-butynediol,bis hydroxymethyl acetylene,2-butynediol,2-butin-1,4-diol,agrisynth b3d,unii-axh202fpqm,1,4-butynediol van PubChem CID: 8066 ChEBI: CHEBI:16413 IUPAC Name: but-2-yne-1,4-diol SMILES: C(C#CCO)O
| PubChem CID | 8066 |
|---|---|
| CAS | 110-65-6 |
| Molecular Weight (g/mol) | 86.09 |
| ChEBI | CHEBI:16413 |
| MDL Number | MFCD00002915 |
| SMILES | C(C#CCO)O |
| Synonym | 2-butyne-1,4-diol,butynediol,1,4-dihydroxy-2-butyne,1,4-butynediol,bis hydroxymethyl acetylene,2-butynediol,2-butin-1,4-diol,agrisynth b3d,unii-axh202fpqm,1,4-butynediol van |
| IUPAC Name | but-2-yne-1,4-diol |
| InChI Key | DLDJFQGPPSQZKI-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2 |
1-Methoxy-2-propanol, 98.5%, extra pure
CAS: 107-98-2 Molecular Formula: C4H10O2 Molecular Weight (g/mol): 90.12 MDL Number: MFCD00004537 InChI Key: ARXJGSRGQADJSQ-UHFFFAOYNA-N Synonym: 1-methoxy-2-propanol,pgme,methoxyisopropanol,2-propanol, 1-methoxy,closol,dowtherm 209,propylene glycol monomethyl ether,poly-solve mpm,propasol solvent m,dowanol 33b PubChem CID: 7900 IUPAC Name: 1-methoxypropan-2-ol SMILES: COCC(C)O
| PubChem CID | 7900 |
|---|---|
| CAS | 107-98-2 |
| Molecular Weight (g/mol) | 90.12 |
| MDL Number | MFCD00004537 |
| SMILES | COCC(C)O |
| Synonym | 1-methoxy-2-propanol,pgme,methoxyisopropanol,2-propanol, 1-methoxy,closol,dowtherm 209,propylene glycol monomethyl ether,poly-solve mpm,propasol solvent m,dowanol 33b |
| IUPAC Name | 1-methoxypropan-2-ol |
| InChI Key | ARXJGSRGQADJSQ-UHFFFAOYNA-N |
| Molecular Formula | C4H10O2 |
4-Pyridinecarboxaldehyde, 98%
CAS: 872-85-5 Molecular Formula: C6H5NO Molecular Weight (g/mol): 107.11 MDL Number: MFCD00006425 InChI Key: BGUWFUQJCDRPTL-UHFFFAOYSA-N Synonym: 4-pyridinecarboxaldehyde,isonicotinaldehyde,4-formylpyridine,isonicotinic aldehyde,p-pyridinealdehyde,pyridine-4-carboxaldehyde,4-pyridinealdehyde,4-pyridylaldehyde,4-pyridinecarbaldehyde,pyridine-4-aldehyde PubChem CID: 13389 IUPAC Name: pyridine-4-carbaldehyde SMILES: C1=CN=CC=C1C=O
| PubChem CID | 13389 |
|---|---|
| CAS | 872-85-5 |
| Molecular Weight (g/mol) | 107.11 |
| MDL Number | MFCD00006425 |
| SMILES | C1=CN=CC=C1C=O |
| Synonym | 4-pyridinecarboxaldehyde,isonicotinaldehyde,4-formylpyridine,isonicotinic aldehyde,p-pyridinealdehyde,pyridine-4-carboxaldehyde,4-pyridinealdehyde,4-pyridylaldehyde,4-pyridinecarbaldehyde,pyridine-4-aldehyde |
| IUPAC Name | pyridine-4-carbaldehyde |
| InChI Key | BGUWFUQJCDRPTL-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO |
2-Phenylethanol, 98+%
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 |
2-Methyl-3-buten-2-ol, 97%
CAS: 115-18-4 Molecular Formula: C5H10O Molecular Weight (g/mol): 86.13 MDL Number: MFCD00004470 InChI Key: HNVRRHSXBLFLIG-UHFFFAOYSA-N Synonym: 2-methyl-3-buten-2-ol,1,1-dimethylallyl alcohol,methylbutenol,3-buten-2-ol, 2-methyl,3-hydroxy-3-methyl-1-butene,dimethylvinylcarbinol,dimethylvinylmethanol,vinyldimethylcarbinol,isoprenyl alcohol,3-methyl-1-buten-3-ol PubChem CID: 8257 IUPAC Name: 2-methylbut-3-en-2-ol SMILES: CC(C)(C=C)O
| PubChem CID | 8257 |
|---|---|
| CAS | 115-18-4 |
| Molecular Weight (g/mol) | 86.13 |
| MDL Number | MFCD00004470 |
| SMILES | CC(C)(C=C)O |
| Synonym | 2-methyl-3-buten-2-ol,1,1-dimethylallyl alcohol,methylbutenol,3-buten-2-ol, 2-methyl,3-hydroxy-3-methyl-1-butene,dimethylvinylcarbinol,dimethylvinylmethanol,vinyldimethylcarbinol,isoprenyl alcohol,3-methyl-1-buten-3-ol |
| IUPAC Name | 2-methylbut-3-en-2-ol |
| InChI Key | HNVRRHSXBLFLIG-UHFFFAOYSA-N |
| Molecular Formula | C5H10O |
Ethyl 2-oxocyclohexanecarboxylate, 95%
CAS: 1655-07-8 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.21 MDL Number: MFCD00001631 InChI Key: FGSGHBPKHFDJOP-UHFFFAOYNA-N Synonym: ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate PubChem CID: 95543 IUPAC Name: ethyl 2-oxocyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCCCC1=O
| PubChem CID | 95543 |
|---|---|
| CAS | 1655-07-8 |
| Molecular Weight (g/mol) | 170.21 |
| MDL Number | MFCD00001631 |
| SMILES | CCOC(=O)C1CCCCC1=O |
| Synonym | ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate |
| IUPAC Name | ethyl 2-oxocyclohexane-1-carboxylate |
| InChI Key | FGSGHBPKHFDJOP-UHFFFAOYNA-N |
| Molecular Formula | C9H14O3 |
3'-Methoxyacetophenone, 97%
CAS: 586-37-8 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008736 InChI Key: BAYUSCHCCGXLAY-UHFFFAOYSA-N Synonym: 3'-methoxyacetophenone,3-methoxyacetophenone,3-acetylanisole,m-methoxyacetophenone,1-3-methoxyphenyl ethanone,ethanone, 1-3-methoxyphenyl,m-acetanisole,acetophenone, m-methoxy,1-3-methoxyphenyl ethan-1-one,acetophenone, 3'-methoxy PubChem CID: 11460 IUPAC Name: 1-(3-methoxyphenyl)ethanone SMILES: CC(=O)C1=CC(=CC=C1)OC
| PubChem CID | 11460 |
|---|---|
| CAS | 586-37-8 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00008736 |
| SMILES | CC(=O)C1=CC(=CC=C1)OC |
| Synonym | 3'-methoxyacetophenone,3-methoxyacetophenone,3-acetylanisole,m-methoxyacetophenone,1-3-methoxyphenyl ethanone,ethanone, 1-3-methoxyphenyl,m-acetanisole,acetophenone, m-methoxy,1-3-methoxyphenyl ethan-1-one,acetophenone, 3'-methoxy |
| IUPAC Name | 1-(3-methoxyphenyl)ethanone |
| InChI Key | BAYUSCHCCGXLAY-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
1,3-Dibromoacetone, 95%
CAS: 816-39-7 Molecular Formula: C3H4Br2O Molecular Weight (g/mol): 215.872 MDL Number: MFCD00013540 InChI Key: LQQKDSXCDXHLLF-UHFFFAOYSA-N Synonym: 1,3-dibromoacetone,1,3-dibromo-2-propanone,2-propanone, 1,3-dibromo,1,3-dibromopropanone,bromomethyl ketone,bromomethylketone,sgqdllrxbrwsp@,1,3-dibromacetone,acmc-20ap4e,2-propanone,3-dibromo PubChem CID: 69952 IUPAC Name: 1,3-dibromopropan-2-one SMILES: C(C(=O)CBr)Br
| PubChem CID | 69952 |
|---|---|
| CAS | 816-39-7 |
| Molecular Weight (g/mol) | 215.872 |
| MDL Number | MFCD00013540 |
| SMILES | C(C(=O)CBr)Br |
| Synonym | 1,3-dibromoacetone,1,3-dibromo-2-propanone,2-propanone, 1,3-dibromo,1,3-dibromopropanone,bromomethyl ketone,bromomethylketone,sgqdllrxbrwsp@,1,3-dibromacetone,acmc-20ap4e,2-propanone,3-dibromo |
| IUPAC Name | 1,3-dibromopropan-2-one |
| InChI Key | LQQKDSXCDXHLLF-UHFFFAOYSA-N |
| Molecular Formula | C3H4Br2O |
myo-Inositol 99.0+%, TCI America™
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 |
4-Carboxybenzaldehyde, 96%
CAS: 619-66-9 Molecular Formula: C8H6O3 Molecular Weight (g/mol): 150.13 MDL Number: MFCD00006951 InChI Key: GOUHYARYYWKXHS-UHFFFAOYSA-N Synonym: 4-carboxybenzaldehyde,benzoic acid, 4-formyl,terephthalaldehydic acid,p-formylbenzoic acid,p-carboxybenzaldehyde,terephthaldehydic acid,4-carboxybenzaladehyde,4-formyl-benzoic acid,4-formylbenzoicacid,unii-ues4qrk36e PubChem CID: 12088 IUPAC Name: 4-formylbenzoic acid SMILES: C1=CC(=CC=C1C=O)C(=O)O
| PubChem CID | 12088 |
|---|---|
| CAS | 619-66-9 |
| Molecular Weight (g/mol) | 150.13 |
| MDL Number | MFCD00006951 |
| SMILES | C1=CC(=CC=C1C=O)C(=O)O |
| Synonym | 4-carboxybenzaldehyde,benzoic acid, 4-formyl,terephthalaldehydic acid,p-formylbenzoic acid,p-carboxybenzaldehyde,terephthaldehydic acid,4-carboxybenzaladehyde,4-formyl-benzoic acid,4-formylbenzoicacid,unii-ues4qrk36e |
| IUPAC Name | 4-formylbenzoic acid |
| InChI Key | GOUHYARYYWKXHS-UHFFFAOYSA-N |
| Molecular Formula | C8H6O3 |
3-Mercapto-1,2-propanediol, 90 wt% aqueous solution
CAS: 96-27-5 Molecular Formula: C3H8O2S Molecular Weight (g/mol): 108.16 MDL Number: MFCD00004879 InChI Key: PJUIMOJAAPLTRJ-UHFFFAOYNA-N Synonym: 3-mercapto-1,2-propanediol,monothioglycerol,1-thioglycerol,thioglycerol,thioglycerine,thioglycerin,thiovanol,3-mercaptopropane-1,2-diol,alpha-thioglycerol,glycerol-1-thiol PubChem CID: 7291 ChEBI: CHEBI:74537 IUPAC Name: 3-sulfanylpropane-1,2-diol SMILES: OCC(O)CS
| PubChem CID | 7291 |
|---|---|
| CAS | 96-27-5 |
| Molecular Weight (g/mol) | 108.16 |
| ChEBI | CHEBI:74537 |
| MDL Number | MFCD00004879 |
| SMILES | OCC(O)CS |
| Synonym | 3-mercapto-1,2-propanediol,monothioglycerol,1-thioglycerol,thioglycerol,thioglycerine,thioglycerin,thiovanol,3-mercaptopropane-1,2-diol,alpha-thioglycerol,glycerol-1-thiol |
| IUPAC Name | 3-sulfanylpropane-1,2-diol |
| InChI Key | PJUIMOJAAPLTRJ-UHFFFAOYNA-N |
| Molecular Formula | C3H8O2S |
1,1,1,3,3,3-Hexafluoro-2-methyl-2-propanol, 98%
CAS: 1515-14-6 Molecular Formula: C4H4F6O Molecular Weight (g/mol): 182.07 MDL Number: MFCD00039259 InChI Key: FQDXJYBXPOMIBX-UHFFFAOYSA-N Synonym: hexafluoro-2-methylisopropanol,1,1,1,3,3,3-hexafluoro-2-methyl-2-propanol,2-propanol, 1,1,1,3,3,3-hexafluoro-2-methyl,hexafluoro-tert-butanol,cf3 2mecoh,1,1,1,3,3,3-hexafluoro-2-methylisopropanol,methylbistrifluoromethylmethanol,cf3 2c oh ch3,fqdxjybxpomibx-uhfffaoysa,hexafluoro-3-methylisopropanol PubChem CID: 73936 IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol SMILES: CC(O)(C(F)(F)F)C(F)(F)F
| PubChem CID | 73936 |
|---|---|
| CAS | 1515-14-6 |
| Molecular Weight (g/mol) | 182.07 |
| MDL Number | MFCD00039259 |
| SMILES | CC(O)(C(F)(F)F)C(F)(F)F |
| Synonym | hexafluoro-2-methylisopropanol,1,1,1,3,3,3-hexafluoro-2-methyl-2-propanol,2-propanol, 1,1,1,3,3,3-hexafluoro-2-methyl,hexafluoro-tert-butanol,cf3 2mecoh,1,1,1,3,3,3-hexafluoro-2-methylisopropanol,methylbistrifluoromethylmethanol,cf3 2c oh ch3,fqdxjybxpomibx-uhfffaoysa,hexafluoro-3-methylisopropanol |
| IUPAC Name | 1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol |
| InChI Key | FQDXJYBXPOMIBX-UHFFFAOYSA-N |
| Molecular Formula | C4H4F6O |
Phenylglyoxal monohydrate, 97%
CAS: 1075-06-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00149499 InChI Key: NBIBDIKAOBCFJN-UHFFFAOYSA-N Synonym: dihydroxyacetophenone,acetophenone, dihydroxy,dihydroxy 1-phenylethanone,2,2-dihydroxy-1-phenyl-ethanone,ethanone, 2,2-dihydroxy-1-phenyl,acetophenone, 2,2-dihydroxy,alpha,alpha-dihydroxyacetophenone,dioxyacetophenone,alpha,alpha-dihydroxy-acetophenone PubChem CID: 99611 IUPAC Name: 2,2-dihydroxy-1-phenylethanone SMILES: C1=CC=C(C=C1)C(=O)C(O)O
| PubChem CID | 99611 |
|---|---|
| CAS | 1075-06-5 |
| Molecular Weight (g/mol) | 152.149 |
| MDL Number | MFCD00149499 |
| SMILES | C1=CC=C(C=C1)C(=O)C(O)O |
| Synonym | dihydroxyacetophenone,acetophenone, dihydroxy,dihydroxy 1-phenylethanone,2,2-dihydroxy-1-phenyl-ethanone,ethanone, 2,2-dihydroxy-1-phenyl,acetophenone, 2,2-dihydroxy,alpha,alpha-dihydroxyacetophenone,dioxyacetophenone,alpha,alpha-dihydroxy-acetophenone |
| IUPAC Name | 2,2-dihydroxy-1-phenylethanone |
| InChI Key | NBIBDIKAOBCFJN-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
2-(2-Aminoethoxy)ethanol, 98%
CAS: 929-06-6 Molecular Formula: C4H11NO2 Molecular Weight (g/mol): 105.14 InChI Key: GIAFURWZWWWBQT-UHFFFAOYSA-N Synonym: 2-2-aminoethoxy ethanol,diglycolamine,2-aminoethoxyethanol,ethanol, 2-2-aminoethoxy,diethylene glycol amine,2-2-hydroxyethoxy ethylamine,diethylene glycol monoamine,2-amino-2'-hydroxydiethyl ether,1-amino-2-2-hydroxyethoxy ethane,5-hydroxy-3-oxapentylamine PubChem CID: 13578 IUPAC Name: 2-(2-aminoethoxy)ethanol SMILES: C(COCCO)N
| PubChem CID | 13578 |
|---|---|
| CAS | 929-06-6 |
| Molecular Weight (g/mol) | 105.14 |
| SMILES | C(COCCO)N |
| Synonym | 2-2-aminoethoxy ethanol,diglycolamine,2-aminoethoxyethanol,ethanol, 2-2-aminoethoxy,diethylene glycol amine,2-2-hydroxyethoxy ethylamine,diethylene glycol monoamine,2-amino-2'-hydroxydiethyl ether,1-amino-2-2-hydroxyethoxy ethane,5-hydroxy-3-oxapentylamine |
| IUPAC Name | 2-(2-aminoethoxy)ethanol |
| InChI Key | GIAFURWZWWWBQT-UHFFFAOYSA-N |
| Molecular Formula | C4H11NO2 |