Organooxygen compounds
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2-Butyn-1-ol, 98%
CAS: 764-01-2 Molecular Formula: C4H6O Molecular Weight (g/mol): 70.09 MDL Number: MFCD00002914 InChI Key: NEEDEQSZOUAJMU-UHFFFAOYSA-N Synonym: 2-butyn-1-ol,2-butynol,2-butyne-1-ol,hydroxymethylmethylacetylene,2-butynyl alcohol,1-hydroxybut-2-yne,2-butyn-l-ol,2-butyn1-ol,2-butin-1-ol,but-2-in-1-ol PubChem CID: 12991 IUPAC Name: but-2-yn-1-ol SMILES: CC#CCO
| PubChem CID | 12991 |
|---|---|
| CAS | 764-01-2 |
| Molecular Weight (g/mol) | 70.09 |
| MDL Number | MFCD00002914 |
| SMILES | CC#CCO |
| Synonym | 2-butyn-1-ol,2-butynol,2-butyne-1-ol,hydroxymethylmethylacetylene,2-butynyl alcohol,1-hydroxybut-2-yne,2-butyn-l-ol,2-butyn1-ol,2-butin-1-ol,but-2-in-1-ol |
| IUPAC Name | but-2-yn-1-ol |
| InChI Key | NEEDEQSZOUAJMU-UHFFFAOYSA-N |
| Molecular Formula | C4H6O |
4-(2-Hydroxyethyl)benzonitrile, Thermo Scientific™
CAS: 69395-13-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.177 InChI Key: RBSJBNYPTGMZIH-UHFFFAOYSA-N Synonym: 4-2-hydroxyethyl benzonitrile,benzonitrile, 4-2-hydroxyethyl,2-4-cyanophenyl ethanol,2-4-cyanophenyl ethan-1-one,4-2-hydroxyethyl benzenecarbonitrile,4-cyanobenzeneethanol,p-cyanophenethylalcohol,p-cyanophenethyl alcohol,4-cyanophenethyl alcohol,acmc-20a4x6 PubChem CID: 2800815 IUPAC Name: 4-(2-hydroxyethyl)benzonitrile SMILES: C1=CC(=CC=C1CCO)C#N
| PubChem CID | 2800815 |
|---|---|
| CAS | 69395-13-7 |
| Molecular Weight (g/mol) | 147.177 |
| SMILES | C1=CC(=CC=C1CCO)C#N |
| Synonym | 4-2-hydroxyethyl benzonitrile,benzonitrile, 4-2-hydroxyethyl,2-4-cyanophenyl ethanol,2-4-cyanophenyl ethan-1-one,4-2-hydroxyethyl benzenecarbonitrile,4-cyanobenzeneethanol,p-cyanophenethylalcohol,p-cyanophenethyl alcohol,4-cyanophenethyl alcohol,acmc-20a4x6 |
| IUPAC Name | 4-(2-hydroxyethyl)benzonitrile |
| InChI Key | RBSJBNYPTGMZIH-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
Bile Salts, Spectrum™ Chemical
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2-(Bromomethyl)-2-(hydroxymethyl)-1,3-propanediol, 99%, Thermo Scientific Chemicals
CAS: 19184-65-7 Molecular Formula: C5H11BrO3 Molecular Weight (g/mol): 199.05 MDL Number: MFCD00135306 InChI Key: MMHHBAUIJVTLFZ-UHFFFAOYSA-N Synonym: 2-bromomethyl-2-hydroxymethyl propane-1,3-diol,2-bromomethyl-2-hydroxymethyl-1,3-propanediol,1,3-propanediol, 2-bromomethyl-2-hydroxymethyl,tris hydroxymethyl bromomethyl methane,monobromoneopentyltriol,2-bromoethylidynetrimethanol,pentaerythritol monobromohydrin,1, 2-bromomethyl-2-hydroxymethyl,2,2-bis hydroxymethyl-3-bromopropan-1-ol,2,2-bis hydroxymethyl-3-hydroxypropyl bromide PubChem CID: 87954 IUPAC Name: 2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol SMILES: C(C(CO)(CO)CBr)O
| PubChem CID | 87954 |
|---|---|
| CAS | 19184-65-7 |
| Molecular Weight (g/mol) | 199.05 |
| MDL Number | MFCD00135306 |
| SMILES | C(C(CO)(CO)CBr)O |
| Synonym | 2-bromomethyl-2-hydroxymethyl propane-1,3-diol,2-bromomethyl-2-hydroxymethyl-1,3-propanediol,1,3-propanediol, 2-bromomethyl-2-hydroxymethyl,tris hydroxymethyl bromomethyl methane,monobromoneopentyltriol,2-bromoethylidynetrimethanol,pentaerythritol monobromohydrin,1, 2-bromomethyl-2-hydroxymethyl,2,2-bis hydroxymethyl-3-bromopropan-1-ol,2,2-bis hydroxymethyl-3-hydroxypropyl bromide |
| IUPAC Name | 2-(bromomethyl)-2-(hydroxymethyl)propane-1,3-diol |
| InChI Key | MMHHBAUIJVTLFZ-UHFFFAOYSA-N |
| Molecular Formula | C5H11BrO3 |
1-Naphthaldehyde, 97%
CAS: 66-77-3 Molecular Formula: C11H8O Molecular Weight (g/mol): 156.18 MDL Number: MFCD00004003 InChI Key: SQAINHDHICKHLX-UHFFFAOYSA-N Synonym: 1-naphthaldehyde,1-formylnaphthalene,1-naphthalenecarboxaldehyde,1-naphthylaldehyde,alpha-naphthal,alpha-naphthaldehyde,naphthaldehyde,.alpha.-naphthal,alpha-naphthylcarboxaldehyde,alpha-naphthylaldehyde PubChem CID: 6195 ChEBI: CHEBI:52367 IUPAC Name: naphthalene-1-carbaldehyde SMILES: O=CC1=C2C=CC=CC2=CC=C1
| PubChem CID | 6195 |
|---|---|
| CAS | 66-77-3 |
| Molecular Weight (g/mol) | 156.18 |
| ChEBI | CHEBI:52367 |
| MDL Number | MFCD00004003 |
| SMILES | O=CC1=C2C=CC=CC2=CC=C1 |
| Synonym | 1-naphthaldehyde,1-formylnaphthalene,1-naphthalenecarboxaldehyde,1-naphthylaldehyde,alpha-naphthal,alpha-naphthaldehyde,naphthaldehyde,.alpha.-naphthal,alpha-naphthylcarboxaldehyde,alpha-naphthylaldehyde |
| IUPAC Name | naphthalene-1-carbaldehyde |
| InChI Key | SQAINHDHICKHLX-UHFFFAOYSA-N |
| Molecular Formula | C11H8O |
2-Acetylbenzoic acid, 98+%
CAS: 577-56-0 Molecular Formula: C9H8O3 Molecular Weight (g/mol): 164.16 MDL Number: MFCD00002475 InChI Key: QDAWXRKTSATEOP-UHFFFAOYSA-N Synonym: o-acetylbenzoic acid,benzoic acid, 2-acetyl,2-acetylbenzoicacid,acetophenone-2-carboxylic acid,2-acetyl-benzoic acid,benzoic acid, acetyl,3-hydroxy-3-methylphthalide,2'-acetophenonecarboxylic acid,acetophenone-2'-carboxylic acid,methyl phenyl ketone-o-carboxylic acid PubChem CID: 68474 IUPAC Name: 2-acetylbenzoic acid SMILES: CC(=O)C1=CC=CC=C1C(O)=O
| PubChem CID | 68474 |
|---|---|
| CAS | 577-56-0 |
| Molecular Weight (g/mol) | 164.16 |
| MDL Number | MFCD00002475 |
| SMILES | CC(=O)C1=CC=CC=C1C(O)=O |
| Synonym | o-acetylbenzoic acid,benzoic acid, 2-acetyl,2-acetylbenzoicacid,acetophenone-2-carboxylic acid,2-acetyl-benzoic acid,benzoic acid, acetyl,3-hydroxy-3-methylphthalide,2'-acetophenonecarboxylic acid,acetophenone-2'-carboxylic acid,methyl phenyl ketone-o-carboxylic acid |
| IUPAC Name | 2-acetylbenzoic acid |
| InChI Key | QDAWXRKTSATEOP-UHFFFAOYSA-N |
| Molecular Formula | C9H8O3 |
1,4-Cyclohexanediol, 99%, mixture of cis and trans
CAS: 556-48-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00001448,MFCD00063612,MFCD00075462 InChI Key: VKONPUDBRVKQLM-UHFFFAOYSA-N Synonym: 1,4-cyclohexanediol,cis-1,4-cyclohexanediol,trans-1,4-cyclohexanediol,trans-cyclohexane-1,4-diol,quinitol,1,4-cyclohexanediol, trans,cis-cyclohexane-1,4-diol,1,4-cyclohexanediol, cis,trans-1,4-dihydroxycyclohexane,cis-1,4-dihydroxycyclohexane PubChem CID: 11162 IUPAC Name: cyclohexane-1,4-diol SMILES: OC1CCC(O)CC1
| PubChem CID | 11162 |
|---|---|
| CAS | 556-48-9 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00001448,MFCD00063612,MFCD00075462 |
| SMILES | OC1CCC(O)CC1 |
| Synonym | 1,4-cyclohexanediol,cis-1,4-cyclohexanediol,trans-1,4-cyclohexanediol,trans-cyclohexane-1,4-diol,quinitol,1,4-cyclohexanediol, trans,cis-cyclohexane-1,4-diol,1,4-cyclohexanediol, cis,trans-1,4-dihydroxycyclohexane,cis-1,4-dihydroxycyclohexane |
| IUPAC Name | cyclohexane-1,4-diol |
| InChI Key | VKONPUDBRVKQLM-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
3-Chloro-2-butanone, 96%
CAS: 4091-39-8 Molecular Formula: C4H7ClO Molecular Weight (g/mol): 106.549 MDL Number: MFCD00000865 InChI Key: OIMRLHCSLQUXLL-UHFFFAOYSA-N Synonym: 3-chloro-2-butanone,2-butanone, 3-chloro,3-chlorobutanone,1-acetyl-1-chloroethane,1-chloroethyl methyl ketone,2-chloro-3-butanone,2-butanone, 3-chloro-, +,chloro-mek,3-chloro-2-butanon,3-chlorobutan-2-on PubChem CID: 20026 IUPAC Name: 3-chlorobutan-2-one SMILES: CC(C(=O)C)Cl
| PubChem CID | 20026 |
|---|---|
| CAS | 4091-39-8 |
| Molecular Weight (g/mol) | 106.549 |
| MDL Number | MFCD00000865 |
| SMILES | CC(C(=O)C)Cl |
| Synonym | 3-chloro-2-butanone,2-butanone, 3-chloro,3-chlorobutanone,1-acetyl-1-chloroethane,1-chloroethyl methyl ketone,2-chloro-3-butanone,2-butanone, 3-chloro-, +,chloro-mek,3-chloro-2-butanon,3-chlorobutan-2-on |
| IUPAC Name | 3-chlorobutan-2-one |
| InChI Key | OIMRLHCSLQUXLL-UHFFFAOYSA-N |
| Molecular Formula | C4H7ClO |
1-Octadecanol, 97%
CAS: 112-92-5 Molecular Formula: C18H38O Molecular Weight (g/mol): 270.501 MDL Number: MFCD00002823 InChI Key: GLDOVTGHNKAZLK-UHFFFAOYSA-N Synonym: stearyl alcohol,1-octadecanol,octadecanol,octadecyl alcohol,n-octadecanol,1-hydroxyoctadecane,n-1-octadecanol,stearol,n-octadecyl alcohol,stearic alcohol PubChem CID: 8221 ChEBI: CHEBI:32154 IUPAC Name: octadecan-1-ol SMILES: CCCCCCCCCCCCCCCCCCO
| PubChem CID | 8221 |
|---|---|
| CAS | 112-92-5 |
| Molecular Weight (g/mol) | 270.501 |
| ChEBI | CHEBI:32154 |
| MDL Number | MFCD00002823 |
| SMILES | CCCCCCCCCCCCCCCCCCO |
| Synonym | stearyl alcohol,1-octadecanol,octadecanol,octadecyl alcohol,n-octadecanol,1-hydroxyoctadecane,n-1-octadecanol,stearol,n-octadecyl alcohol,stearic alcohol |
| IUPAC Name | octadecan-1-ol |
| InChI Key | GLDOVTGHNKAZLK-UHFFFAOYSA-N |
| Molecular Formula | C18H38O |
4-(Hydroxymethyl)imidazole hydrochloride, 99%, Thermo Scientific™
CAS: 32673-41-9 Molecular Formula: C4H7ClN2O Molecular Weight (g/mol): 134.56 MDL Number: MFCD00012697 InChI Key: WFNASTYGEKUMIY-UHFFFAOYSA-N Synonym: 4-imidazolemethanol hydrochloride,4-hydroxymethyl imidazole hydrochloride,1h-imidazol-4-yl methanol hydrochloride,4-hydroxymethylimidazole hydrochloride,imidazol-4-ylmethanol hydrochloride,1h-imidazol-4-ylmethanol hydrochloride,1h-imidazol-5-ylmethanol hydrochloride,4-hydroxymethyl imidazole hcl,1h-imidazole-4-ylmethanol hydrochloride,4 5-hydroxymethylimidazole hydrochloride PubChem CID: 122926 IUPAC Name: 1H-imidazol-5-ylmethanol;hydrochloride SMILES: Cl.OCC1=CN=CN1
| PubChem CID | 122926 |
|---|---|
| CAS | 32673-41-9 |
| Molecular Weight (g/mol) | 134.56 |
| MDL Number | MFCD00012697 |
| SMILES | Cl.OCC1=CN=CN1 |
| Synonym | 4-imidazolemethanol hydrochloride,4-hydroxymethyl imidazole hydrochloride,1h-imidazol-4-yl methanol hydrochloride,4-hydroxymethylimidazole hydrochloride,imidazol-4-ylmethanol hydrochloride,1h-imidazol-4-ylmethanol hydrochloride,1h-imidazol-5-ylmethanol hydrochloride,4-hydroxymethyl imidazole hcl,1h-imidazole-4-ylmethanol hydrochloride,4 5-hydroxymethylimidazole hydrochloride |
| IUPAC Name | 1H-imidazol-5-ylmethanol;hydrochloride |
| InChI Key | WFNASTYGEKUMIY-UHFFFAOYSA-N |
| Molecular Formula | C4H7ClN2O |
5-Bromoindole-3-carboxaldehyde, 97%
CAS: 877-03-2 Molecular Formula: C9H6BrNO Molecular Weight (g/mol): 224.05 MDL Number: MFCD00152016 InChI Key: PEENKJZANBYXNB-UHFFFAOYSA-N Synonym: 5-bromoindole-3-carboxaldehyde,5-bromoindole-3-carbaldehyde,5-bromoindole-3-carboxyaldehyde,5-bromo-3-formylindole,5-bromoindole-3-aldehyde,5-bromo-3-formyl-1h-indole,5-bromo-1h-indole-3-carboxaldehyde,1h-indole-3-carboxaldehyde, 5-bromo,pubchem9122,acmc-209qpj PubChem CID: 70137 IUPAC Name: 5-bromo-1H-indole-3-carbaldehyde SMILES: C1=CC2=C(C=C1Br)C(=CN2)C=O
| PubChem CID | 70137 |
|---|---|
| CAS | 877-03-2 |
| Molecular Weight (g/mol) | 224.05 |
| MDL Number | MFCD00152016 |
| SMILES | C1=CC2=C(C=C1Br)C(=CN2)C=O |
| Synonym | 5-bromoindole-3-carboxaldehyde,5-bromoindole-3-carbaldehyde,5-bromoindole-3-carboxyaldehyde,5-bromo-3-formylindole,5-bromoindole-3-aldehyde,5-bromo-3-formyl-1h-indole,5-bromo-1h-indole-3-carboxaldehyde,1h-indole-3-carboxaldehyde, 5-bromo,pubchem9122,acmc-209qpj |
| IUPAC Name | 5-bromo-1H-indole-3-carbaldehyde |
| InChI Key | PEENKJZANBYXNB-UHFFFAOYSA-N |
| Molecular Formula | C9H6BrNO |
3-Methyl-1-butanol, 99%, for biochemistry, AcroSeal™
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 |
3-Ethoxy-4-hydroxybenzaldehyde, 97%
CAS: 121-32-4 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00006944 InChI Key: CBOQJANXLMLOSS-UHFFFAOYSA-N Synonym: ethyl vanillin,ethylvanillin,bourbonal,ethylprotal,ethavan,ethovan,vanirom,vanilal,quantrovanil,vanillal PubChem CID: 8467 ChEBI: CHEBI:48408 IUPAC Name: 3-ethoxy-4-hydroxybenzaldehyde SMILES: CCOC1=CC(C=O)=CC=C1O
| PubChem CID | 8467 |
|---|---|
| CAS | 121-32-4 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:48408 |
| MDL Number | MFCD00006944 |
| SMILES | CCOC1=CC(C=O)=CC=C1O |
| Synonym | ethyl vanillin,ethylvanillin,bourbonal,ethylprotal,ethavan,ethovan,vanirom,vanilal,quantrovanil,vanillal |
| IUPAC Name | 3-ethoxy-4-hydroxybenzaldehyde |
| InChI Key | CBOQJANXLMLOSS-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
3-Fluoro-4-hydroxybenzaldehyde, 98%
CAS: 405-05-0 Molecular Formula: C7H5FO2 Molecular Weight (g/mol): 140.113 MDL Number: MFCD00016626 InChI Key: QSBHJTCAPWOIIE-UHFFFAOYSA-N Synonym: 3-fluoro-4-hydroxy-benzaldehyde,benzaldehyde, 3-fluoro-4-hydroxy,4-hydroxy-3-fluorobenzaldehyde,pubchem1443,acmc-1acq8,ksc497m8t,3-fluoro-4 hydroxybenzaldehyde,4-hydroxy-3-fluoro-benzaldehyde,#,3-fluoranyl-4-oxidanyl-benzaldehyde PubChem CID: 587250 IUPAC Name: 3-fluoro-4-hydroxybenzaldehyde SMILES: C1=CC(=C(C=C1C=O)F)O
| PubChem CID | 587250 |
|---|---|
| CAS | 405-05-0 |
| Molecular Weight (g/mol) | 140.113 |
| MDL Number | MFCD00016626 |
| SMILES | C1=CC(=C(C=C1C=O)F)O |
| Synonym | 3-fluoro-4-hydroxy-benzaldehyde,benzaldehyde, 3-fluoro-4-hydroxy,4-hydroxy-3-fluorobenzaldehyde,pubchem1443,acmc-1acq8,ksc497m8t,3-fluoro-4 hydroxybenzaldehyde,4-hydroxy-3-fluoro-benzaldehyde,#,3-fluoranyl-4-oxidanyl-benzaldehyde |
| IUPAC Name | 3-fluoro-4-hydroxybenzaldehyde |
| InChI Key | QSBHJTCAPWOIIE-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO2 |
2'-Methylacetophenone, 98%
CAS: 577-16-2 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00008734 InChI Key: YXWWHNCQZBVZPV-UHFFFAOYSA-N Synonym: 2'-methylacetophenone,1-o-tolyl ethanone,2-methylacetophenone,o-methylacetophenone,2-acetyltoluene,o-acetyltoluene,1-2-methylphenyl ethanone,ethanone, 1-2-methylphenyl,2'-methylacetylphenone,acetophenone, 2'-methyl PubChem CID: 11340 IUPAC Name: 1-(2-methylphenyl)ethanone SMILES: CC1=CC=CC=C1C(=O)C
| PubChem CID | 11340 |
|---|---|
| CAS | 577-16-2 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD00008734 |
| SMILES | CC1=CC=CC=C1C(=O)C |
| Synonym | 2'-methylacetophenone,1-o-tolyl ethanone,2-methylacetophenone,o-methylacetophenone,2-acetyltoluene,o-acetyltoluene,1-2-methylphenyl ethanone,ethanone, 1-2-methylphenyl,2'-methylacetylphenone,acetophenone, 2'-methyl |
| IUPAC Name | 1-(2-methylphenyl)ethanone |
| InChI Key | YXWWHNCQZBVZPV-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |