Organooxygen compounds
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Furfural 98.0+%, TCI America™
CAS: 98-01-1 Molecular Formula: C5H4O2 Molecular Weight (g/mol): 96.09 MDL Number: MFCD00003229 InChI Key: HYBBIBNJHNGZAN-UHFFFAOYSA-N Synonym: furfural,2-furaldehyde,2-furancarboxaldehyde,furaldehyde,2-formylfuran,furfuraldehyde,fural,2-furanaldehyde,2-furancarbonal,2-furfural PubChem CID: 7362 ChEBI: CHEBI:34768 IUPAC Name: furan-2-carbaldehyde SMILES: O=CC1=CC=CO1
| PubChem CID | 7362 |
|---|---|
| CAS | 98-01-1 |
| Molecular Weight (g/mol) | 96.09 |
| ChEBI | CHEBI:34768 |
| MDL Number | MFCD00003229 |
| SMILES | O=CC1=CC=CO1 |
| Synonym | furfural,2-furaldehyde,2-furancarboxaldehyde,furaldehyde,2-formylfuran,furfuraldehyde,fural,2-furanaldehyde,2-furancarbonal,2-furfural |
| IUPAC Name | furan-2-carbaldehyde |
| InChI Key | HYBBIBNJHNGZAN-UHFFFAOYSA-N |
| Molecular Formula | C5H4O2 |
3-Methyl-1-butanol 99.0+%, TCI America™
CAS: 123-51-3 Molecular Formula: C5H12O Molecular Weight (g/mol): 88.15 MDL Number: MFCD00002934 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 |
| MDL Number | MFCD00002934 |
| 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 |
Diethylene Glycol Dimethyl Ether 99.0+%, TCI America™
CAS: 111-96-6 Molecular Formula: C6H14O3 Molecular Weight (g/mol): 134.175 MDL Number: MFCD00008503 InChI Key: SBZXBUIDTXKZTM-UHFFFAOYSA-N Synonym: diglyme,bis 2-methoxyethyl ether,2-methoxyethyl ether,1-methoxy-2-2-methoxyethoxy ethane,diethylene glycol dimethyl ether,poly-solv,di 2-methoxyethyl ether,dimethyl carbitol,2,5,8-trioxanonane PubChem CID: 8150 ChEBI: CHEBI:46784 IUPAC Name: 1-methoxy-2-(2-methoxyethoxy)ethane SMILES: COCCOCCOC
| PubChem CID | 8150 |
|---|---|
| CAS | 111-96-6 |
| Molecular Weight (g/mol) | 134.175 |
| ChEBI | CHEBI:46784 |
| MDL Number | MFCD00008503 |
| SMILES | COCCOCCOC |
| Synonym | diglyme,bis 2-methoxyethyl ether,2-methoxyethyl ether,1-methoxy-2-2-methoxyethoxy ethane,diethylene glycol dimethyl ether,poly-solv,di 2-methoxyethyl ether,dimethyl carbitol,2,5,8-trioxanonane |
| IUPAC Name | 1-methoxy-2-(2-methoxyethoxy)ethane |
| InChI Key | SBZXBUIDTXKZTM-UHFFFAOYSA-N |
| Molecular Formula | C6H14O3 |
iso-Amyl Alcohol ACS, MilliporeSigma™
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 |
Boron Trifluoride - Ethyl Ether Complex 98.0+%, TCI America™
CAS: 109-63-7 Molecular Formula: C4H10BF3O Molecular Weight (g/mol): 141.93 MDL Number: MFCD00013194 InChI Key: KZMGYPLQYOPHEL-UHFFFAOYSA-N PubChem CID: 8000 IUPAC Name: ethoxyethane; trifluoroborane SMILES: FB(F)F.CCOCC
| PubChem CID | 8000 |
|---|---|
| CAS | 109-63-7 |
| Molecular Weight (g/mol) | 141.93 |
| MDL Number | MFCD00013194 |
| SMILES | FB(F)F.CCOCC |
| IUPAC Name | ethoxyethane; trifluoroborane |
| InChI Key | KZMGYPLQYOPHEL-UHFFFAOYSA-N |
| Molecular Formula | C4H10BF3O |
3,4-Dibenzyloxybenzaldehyde, 99%
CAS: 5447-02-9 Molecular Formula: C21H18O3 Molecular Weight (g/mol): 318.36 MDL Number: MFCD00004776 InChI Key: XDDLXZHBWVFPRG-UHFFFAOYSA-N Synonym: 3,4-dibenzyloxybenzaldehyde,3,4-bis benzyloxy benzaldehyde,3,4-dibenzyloxy benzaldehyde,3,4-bis phenylmethoxy benzaldehyde,xddlxzhbwvfprg-uhfffaoysa-n,3.4-dibenzyloxybenzaldehyde,3,4-dibenzyloxy-benzaldehyde,3,4-dibenzyl-oxybenzaldehyde,benzaldehyde, 3,4-dibenzyloxy,xddlxzhbwvfprg-uhfffaoysa PubChem CID: 79526
| PubChem CID | 79526 |
|---|---|
| CAS | 5447-02-9 |
| Molecular Weight (g/mol) | 318.36 |
| MDL Number | MFCD00004776 |
| Synonym | 3,4-dibenzyloxybenzaldehyde,3,4-bis benzyloxy benzaldehyde,3,4-dibenzyloxy benzaldehyde,3,4-bis phenylmethoxy benzaldehyde,xddlxzhbwvfprg-uhfffaoysa-n,3.4-dibenzyloxybenzaldehyde,3,4-dibenzyloxy-benzaldehyde,3,4-dibenzyl-oxybenzaldehyde,benzaldehyde, 3,4-dibenzyloxy,xddlxzhbwvfprg-uhfffaoysa |
| InChI Key | XDDLXZHBWVFPRG-UHFFFAOYSA-N |
| Molecular Formula | C21H18O3 |
3,5-Diiodosalicylaldehyde, 97%
CAS: 2631-77-8 Molecular Formula: C7H4I2O2 Molecular Weight (g/mol): 373.92 InChI Key: MYWSBJKVOUZCIA-UHFFFAOYSA-N Synonym: 3,5-diiodosalicylaldehyde,benzaldehyde, 2-hydroxy-3,5-diiodo,3,5-diiodo-2-hydroxybenzaldehyde,2-hydroxy-3,5-diiodo-benzaldehyde,acmc-20ancp,3,5-diodosolicylaldehyde,2,4-diiodo-6-formylphenol,#,benzaldehyde,2-hydroxy-3,5-diiodo PubChem CID: 75829 IUPAC Name: 2-hydroxy-3,5-diiodobenzaldehyde SMILES: C1=C(C=C(C(=C1I)O)C=O)I
| PubChem CID | 75829 |
|---|---|
| CAS | 2631-77-8 |
| Molecular Weight (g/mol) | 373.92 |
| SMILES | C1=C(C=C(C(=C1I)O)C=O)I |
| Synonym | 3,5-diiodosalicylaldehyde,benzaldehyde, 2-hydroxy-3,5-diiodo,3,5-diiodo-2-hydroxybenzaldehyde,2-hydroxy-3,5-diiodo-benzaldehyde,acmc-20ancp,3,5-diodosolicylaldehyde,2,4-diiodo-6-formylphenol,#,benzaldehyde,2-hydroxy-3,5-diiodo |
| IUPAC Name | 2-hydroxy-3,5-diiodobenzaldehyde |
| InChI Key | MYWSBJKVOUZCIA-UHFFFAOYSA-N |
| Molecular Formula | C7H4I2O2 |
Propargylaldehyde diethyl acetal, 98%, Thermo Scientific Chemicals
CAS: 10160-87-9 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00009237 InChI Key: RGUXEWWHSQGVRZ-UHFFFAOYSA-N PubChem CID: 66285 IUPAC Name: 3,3-diethoxyprop-1-yne SMILES: CCOC(OCC)C#C
| PubChem CID | 66285 |
|---|---|
| CAS | 10160-87-9 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00009237 |
| SMILES | CCOC(OCC)C#C |
| IUPAC Name | 3,3-diethoxyprop-1-yne |
| InChI Key | RGUXEWWHSQGVRZ-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
2-Fluorophenacyl bromide, 98%
CAS: 655-15-2 Molecular Formula: C8H6BrFO Molecular Weight (g/mol): 217.04 InChI Key: QDNWNJSLWKHNTM-UHFFFAOYSA-N Synonym: 2-bromo-2'-fluoroacetophenone,2-bromo-1-2-fluorophenyl ethanone,2-fluorophenacyl bromide,2-bromo-1-2-fluorophenyl ethan-1-one,alpha-bromo-2-fluoroacetophenone,2-fluorophenacylbromide,ethanone, 2-bromo-1-2-fluorophenyl,o-fluorophenacyl bromide,omega-bromo-2-fluoroacetophenone,2-bromo-1-2'-fluorophenyl ethanone PubChem CID: 2737449 IUPAC Name: 2-bromo-1-(2-fluorophenyl)ethanone SMILES: C1=CC=C(C(=C1)C(=O)CBr)F
| PubChem CID | 2737449 |
|---|---|
| CAS | 655-15-2 |
| Molecular Weight (g/mol) | 217.04 |
| SMILES | C1=CC=C(C(=C1)C(=O)CBr)F |
| Synonym | 2-bromo-2'-fluoroacetophenone,2-bromo-1-2-fluorophenyl ethanone,2-fluorophenacyl bromide,2-bromo-1-2-fluorophenyl ethan-1-one,alpha-bromo-2-fluoroacetophenone,2-fluorophenacylbromide,ethanone, 2-bromo-1-2-fluorophenyl,o-fluorophenacyl bromide,omega-bromo-2-fluoroacetophenone,2-bromo-1-2'-fluorophenyl ethanone |
| IUPAC Name | 2-bromo-1-(2-fluorophenyl)ethanone |
| InChI Key | QDNWNJSLWKHNTM-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO |
3-Methyl-1-pentanol, 99+%
CAS: 589-35-5 Molecular Formula: C6H14O Molecular Weight (g/mol): 102.18 MDL Number: MFCD00002937 InChI Key: IWTBVKIGCDZRPL-UHFFFAOYSA-N Synonym: 3-methyl-1-pentanol,3-methylpentanol,1-pentanol, 3-methyl,2-ethyl-4-butanol,3-ethyl-1-butanol,3-ethylbutanol,3-methyl pentanol,fema no. 3762,3-methyl pentan-1-ol,3-methyl-pentan-1-ol PubChem CID: 11508 ChEBI: CHEBI:87381 IUPAC Name: 3-methylpentan-1-ol SMILES: CCC(C)CCO
| PubChem CID | 11508 |
|---|---|
| CAS | 589-35-5 |
| Molecular Weight (g/mol) | 102.18 |
| ChEBI | CHEBI:87381 |
| MDL Number | MFCD00002937 |
| SMILES | CCC(C)CCO |
| Synonym | 3-methyl-1-pentanol,3-methylpentanol,1-pentanol, 3-methyl,2-ethyl-4-butanol,3-ethyl-1-butanol,3-ethylbutanol,3-methyl pentanol,fema no. 3762,3-methyl pentan-1-ol,3-methyl-pentan-1-ol |
| IUPAC Name | 3-methylpentan-1-ol |
| InChI Key | IWTBVKIGCDZRPL-UHFFFAOYSA-N |
| Molecular Formula | C6H14O |
Thermo Scientific Chemicals D(-)-Isoascorbic acid, 98%
CAS: 89-65-6 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 MDL Number: MFCD00005378 InChI Key: IFVCRSPJFHGFCG-HXPAKLQESA-N Synonym: erythorbic acid,isoascorbic acid,d-araboascorbic acid,d-isoascorbic acid,araboascorbic acid,d-erythorbic acid,isovitamin c,neo-cebicure,saccharosonic acid,mercate 5 PubChem CID: 54675810 ChEBI: CHEBI:51438 IUPAC Name: (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one SMILES: [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O
| PubChem CID | 54675810 |
|---|---|
| CAS | 89-65-6 |
| Molecular Weight (g/mol) | 198.11 |
| ChEBI | CHEBI:51438 |
| MDL Number | MFCD00005378 |
| SMILES | [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O |
| Synonym | erythorbic acid,isoascorbic acid,d-araboascorbic acid,d-isoascorbic acid,araboascorbic acid,d-erythorbic acid,isovitamin c,neo-cebicure,saccharosonic acid,mercate 5 |
| IUPAC Name | (2R)-2-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one |
| InChI Key | IFVCRSPJFHGFCG-HXPAKLQESA-N |
| Molecular Formula | C6H7NaO6 |
Vanillin, 99%
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 |
Ethyl diethoxyacetate, 98%
CAS: 6065-82-3 Molecular Formula: C8H16O4 Molecular Weight (g/mol): 176.21 MDL Number: MFCD00009231 InChI Key: XCLBIKIQSCTANZ-UHFFFAOYSA-N Synonym: ethyl diethoxyacetate,acetic acid, diethoxy-, ethyl ester,diethoxyacetic acid ethyl ester,ethyldiethoxyacetate,acetic acid, 2,2-diethoxy-, ethyl ester,acetic acid,diethoxy,ethyl ester,acmc-209mlb,ethyl bis ethyloxy acetate,ethyl glyoxylate diethyl acetal PubChem CID: 80169 IUPAC Name: ethyl 2,2-diethoxyacetate SMILES: CCOC(C(=O)OCC)OCC
| PubChem CID | 80169 |
|---|---|
| CAS | 6065-82-3 |
| Molecular Weight (g/mol) | 176.21 |
| MDL Number | MFCD00009231 |
| SMILES | CCOC(C(=O)OCC)OCC |
| Synonym | ethyl diethoxyacetate,acetic acid, diethoxy-, ethyl ester,diethoxyacetic acid ethyl ester,ethyldiethoxyacetate,acetic acid, 2,2-diethoxy-, ethyl ester,acetic acid,diethoxy,ethyl ester,acmc-209mlb,ethyl bis ethyloxy acetate,ethyl glyoxylate diethyl acetal |
| IUPAC Name | ethyl 2,2-diethoxyacetate |
| InChI Key | XCLBIKIQSCTANZ-UHFFFAOYSA-N |
| Molecular Formula | C8H16O4 |
3-Hydroxypropionitrile, 97%
CAS: 109-78-4 Molecular Formula: C3H5NO Molecular Weight (g/mol): 71.08 MDL Number: MFCD00002826 InChI Key: WSGYTJNNHPZFKR-UHFFFAOYSA-N Synonym: 3-hydroxypropionitrile,hydracrylonitrile,2-cyanoethanol,ethylene cyanohydrin,propanenitrile, 3-hydroxy,beta-cyanoethanol,glycol cyanohydrin,methanolacetonitrile,hydroxypropanenitrile,2-hydroxycyanoethane PubChem CID: 8011 IUPAC Name: 3-hydroxypropanenitrile SMILES: C(CO)C#N
| PubChem CID | 8011 |
|---|---|
| CAS | 109-78-4 |
| Molecular Weight (g/mol) | 71.08 |
| MDL Number | MFCD00002826 |
| SMILES | C(CO)C#N |
| Synonym | 3-hydroxypropionitrile,hydracrylonitrile,2-cyanoethanol,ethylene cyanohydrin,propanenitrile, 3-hydroxy,beta-cyanoethanol,glycol cyanohydrin,methanolacetonitrile,hydroxypropanenitrile,2-hydroxycyanoethane |
| IUPAC Name | 3-hydroxypropanenitrile |
| InChI Key | WSGYTJNNHPZFKR-UHFFFAOYSA-N |
| Molecular Formula | C3H5NO |
1-Naphthalenemethanol, 98%
CAS: 4780-79-4 Molecular Formula: C11H10O Molecular Weight (g/mol): 158.20 MDL Number: MFCD00004044 InChI Key: PBLNHHSDYFYZNC-UHFFFAOYSA-N Synonym: 1-naphthalenemethanol,1-naphthylmethanol,1-hydroxymethylnaphthalene,naphthalene-1-methanol,1-naphthalene methanol,1-menaphthyl alcohol,1-naphthylmethyl alcohol,naphthalen-1-yl-methanol,naphthalen-1-yl methanol,1-naphthylenemethanol PubChem CID: 20908 ChEBI: CHEBI:38137 IUPAC Name: naphthalen-1-ylmethanol SMILES: OCC1=C2C=CC=CC2=CC=C1
| PubChem CID | 20908 |
|---|---|
| CAS | 4780-79-4 |
| Molecular Weight (g/mol) | 158.20 |
| ChEBI | CHEBI:38137 |
| MDL Number | MFCD00004044 |
| SMILES | OCC1=C2C=CC=CC2=CC=C1 |
| Synonym | 1-naphthalenemethanol,1-naphthylmethanol,1-hydroxymethylnaphthalene,naphthalene-1-methanol,1-naphthalene methanol,1-menaphthyl alcohol,1-naphthylmethyl alcohol,naphthalen-1-yl-methanol,naphthalen-1-yl methanol,1-naphthylenemethanol |
| IUPAC Name | naphthalen-1-ylmethanol |
| InChI Key | PBLNHHSDYFYZNC-UHFFFAOYSA-N |
| Molecular Formula | C11H10O |