Organooxygen compounds
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Ethyl isobutyrylacetate, 95%
CAS: 7152-15-0 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.2 MDL Number: MFCD00009198 InChI Key: XCLDSQRVMMXWMS-UHFFFAOYSA-N Synonym: ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate PubChem CID: 81583 IUPAC Name: ethyl 4-methyl-3-oxopentanoate SMILES: CCOC(=O)CC(=O)C(C)C
| PubChem CID | 81583 |
|---|---|
| CAS | 7152-15-0 |
| Molecular Weight (g/mol) | 158.2 |
| MDL Number | MFCD00009198 |
| SMILES | CCOC(=O)CC(=O)C(C)C |
| Synonym | ethyl isobutyrylacetate,4-methyl-3-oxo-pentanoic acid ethyl ester,pentanoic acid, 4-methyl-3-oxo-, ethyl ester,ethyl isobutyroylacetate,valeric acid, 4-methyl-3-oxo-, ethyl ester,.gamma.,.gamma.-dimethylacetoacetic acid ethyl ester,beta-keto-gamma-methylvaleric acid ethyl ester,ethyl alpha-isobutyroylacetate,ethylisobutyrylacetate,ethyl iso-butyrylacetate |
| IUPAC Name | ethyl 4-methyl-3-oxopentanoate |
| InChI Key | XCLDSQRVMMXWMS-UHFFFAOYSA-N |
| Molecular Formula | C8H14O3 |
Benzyl tert-butyl malonate, 95%
CAS: 72594-86-6 Molecular Formula: C14H18O4 Molecular Weight (g/mol): 250.294 MDL Number: MFCD01075175 InChI Key: XKXXXODAXXAFNP-UHFFFAOYSA-N Synonym: benzyl tert-butyl malonate,benzyltert-butylmalonate,tert-butyl benzyl malonate,1-benzyl 3-tert-butyl propanedioate,tert-butyl 2-benzyloxycarbonyl acetate,propanedioic acid, 1,1-dimethylethyl phenylmethyl ester,tert-butyl phenylmethyl propane-1,3-dioate,pubchem3938,t-butyl benzyl malonate,ksc493q0n PubChem CID: 2736712 IUPAC Name: 1-O-benzyl 3-O-tert-butyl propanedioate SMILES: CC(C)(C)OC(=O)CC(=O)OCC1=CC=CC=C1
| PubChem CID | 2736712 |
|---|---|
| CAS | 72594-86-6 |
| Molecular Weight (g/mol) | 250.294 |
| MDL Number | MFCD01075175 |
| SMILES | CC(C)(C)OC(=O)CC(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl tert-butyl malonate,benzyltert-butylmalonate,tert-butyl benzyl malonate,1-benzyl 3-tert-butyl propanedioate,tert-butyl 2-benzyloxycarbonyl acetate,propanedioic acid, 1,1-dimethylethyl phenylmethyl ester,tert-butyl phenylmethyl propane-1,3-dioate,pubchem3938,t-butyl benzyl malonate,ksc493q0n |
| IUPAC Name | 1-O-benzyl 3-O-tert-butyl propanedioate |
| InChI Key | XKXXXODAXXAFNP-UHFFFAOYSA-N |
| Molecular Formula | C14H18O4 |
Mono-benzyl malonate, 95%
CAS: 40204-26-0 Molecular Formula: C10H10O4 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00138132 InChI Key: CFLAHQSWDKNWPW-UHFFFAOYSA-N Synonym: mono-benzyl malonate,monobenzyl malonate,3-benzyloxy-3-oxopropanoic acid,benzyl hemimalonate,benzyl hydrogen malonate,monobenzylmalonate,2-benzyloxy carbonyl acetic acid,malonic acid monobenzyl ester,3-benzyl-oxy-3-oxopropanoic acid,propanedioic acid, 1-phenylmethyl ester PubChem CID: 181659 ChEBI: CHEBI:84093 IUPAC Name: 3-oxo-3-phenylmethoxypropanoic acid SMILES: OC(=O)CC(=O)OCC1=CC=CC=C1
| PubChem CID | 181659 |
|---|---|
| CAS | 40204-26-0 |
| Molecular Weight (g/mol) | 194.19 |
| ChEBI | CHEBI:84093 |
| MDL Number | MFCD00138132 |
| SMILES | OC(=O)CC(=O)OCC1=CC=CC=C1 |
| Synonym | mono-benzyl malonate,monobenzyl malonate,3-benzyloxy-3-oxopropanoic acid,benzyl hemimalonate,benzyl hydrogen malonate,monobenzylmalonate,2-benzyloxy carbonyl acetic acid,malonic acid monobenzyl ester,3-benzyl-oxy-3-oxopropanoic acid,propanedioic acid, 1-phenylmethyl ester |
| IUPAC Name | 3-oxo-3-phenylmethoxypropanoic acid |
| InChI Key | CFLAHQSWDKNWPW-UHFFFAOYSA-N |
| Molecular Formula | C10H10O4 |
Ethyl 3-Oxohexanoate, Spectrum™ Chemical
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CAS: 3249-68-1
| CAS | 3249-68-1 |
|---|
Ethyl 2-methylacetoacetate, 95%
CAS: 609-14-3 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009164 InChI Key: FNENWZWNOPCZGK-UHFFFAOYSA-N Synonym: ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester PubChem CID: 701 IUPAC Name: ethyl 2-methyl-3-oxobutanoate SMILES: CCOC(=O)C(C)C(=O)C
| PubChem CID | 701 |
|---|---|
| CAS | 609-14-3 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00009164 |
| SMILES | CCOC(=O)C(C)C(=O)C |
| Synonym | ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester |
| IUPAC Name | ethyl 2-methyl-3-oxobutanoate |
| InChI Key | FNENWZWNOPCZGK-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
2-Cyclopentyloxypyridine-5-carboxaldehyde, 98%, Thermo Scientific Chemicals
CAS: 916792-14-8 Molecular Formula: C11H13NO2 Molecular Weight (g/mol): 191.23 MDL Number: MFCD08060943 InChI Key: NQJPWJIUEZZENP-UHFFFAOYSA-N Synonym: 2-cyclopentyloxypyridine-5-carboxaldehyde,6-cyclopentyloxy nicotinaldehyde,6-cyclopentyloxy pyridine-3-carbaldehyde,6-cyclopentyl-oxy pyridine-3-carbaldehyde,6-cyclopentyloxypyridine-3-carboxaldehyde PubChem CID: 42553151 IUPAC Name: 6-cyclopentyloxypyridine-3-carbaldehyde SMILES: C1CCC(C1)OC2=NC=C(C=C2)C=O
| PubChem CID | 42553151 |
|---|---|
| CAS | 916792-14-8 |
| Molecular Weight (g/mol) | 191.23 |
| MDL Number | MFCD08060943 |
| SMILES | C1CCC(C1)OC2=NC=C(C=C2)C=O |
| Synonym | 2-cyclopentyloxypyridine-5-carboxaldehyde,6-cyclopentyloxy nicotinaldehyde,6-cyclopentyloxy pyridine-3-carbaldehyde,6-cyclopentyl-oxy pyridine-3-carbaldehyde,6-cyclopentyloxypyridine-3-carboxaldehyde |
| IUPAC Name | 6-cyclopentyloxypyridine-3-carbaldehyde |
| InChI Key | NQJPWJIUEZZENP-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO2 |
Vanillin, NF, 97-103%, Spectrum™ Chemical
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CAS: 121-33-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00006942,MFCD08702848 InChI Key: MWOOGOJBHIARFG-UHFFFAOYSA-N IUPAC Name: 4-hydroxy-3-methoxybenzaldehyde SMILES: COC1=CC(C=O)=CC=C1O
| CAS | 121-33-5 |
|---|---|
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00006942,MFCD08702848 |
| SMILES | COC1=CC(C=O)=CC=C1O |
| IUPAC Name | 4-hydroxy-3-methoxybenzaldehyde |
| InChI Key | MWOOGOJBHIARFG-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Glutaraldehyde, 25% in H2O, Practical, J.T. Baker™
CAS: 111-30-8 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00007025 InChI Key: SXRSQZLOMIGNAQ-UHFFFAOYSA-N Synonym: glutaraldehyde,glutaral,glutaric dialdehyde,cidex,glutardialdehyde,1,5-pentanedial,sonacide,glutarol,aldesan,glutaric aldehyde PubChem CID: 3485 ChEBI: CHEBI:64276 IUPAC Name: pentanedial SMILES: O=CCCCC=O
| PubChem CID | 3485 |
|---|---|
| CAS | 111-30-8 |
| Molecular Weight (g/mol) | 100.12 |
| ChEBI | CHEBI:64276 |
| MDL Number | MFCD00007025 |
| SMILES | O=CCCCC=O |
| Synonym | glutaraldehyde,glutaral,glutaric dialdehyde,cidex,glutardialdehyde,1,5-pentanedial,sonacide,glutarol,aldesan,glutaric aldehyde |
| IUPAC Name | pentanedial |
| InChI Key | SXRSQZLOMIGNAQ-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
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 |
Benzyl ethyl malonate, tech. 85%
CAS: 42998-51-6 Molecular Formula: C12H14O4 Molecular Weight (g/mol): 222.24 MDL Number: MFCD00009194 InChI Key: CGNOCUSLPSCMLL-UHFFFAOYSA-N Synonym: benzyl ethyl malonate,benzylethyl malonate,malonic acid benzyl ethyl ester,ethyl benzylmalonate,acmc-20alpf,1-benzyl 3-ethyl malonate #,ethyl phenylmethyl propanedioate,1-benzyl 3-ethyl propanedioate,malonic acid 1-benzyl 3-ethyl ester,ethyl phenylmethyl propane-1,3-dioate PubChem CID: 562228 SMILES: CCOC(=O)CC(=O)OCC1=CC=CC=C1
| PubChem CID | 562228 |
|---|---|
| CAS | 42998-51-6 |
| Molecular Weight (g/mol) | 222.24 |
| MDL Number | MFCD00009194 |
| SMILES | CCOC(=O)CC(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl ethyl malonate,benzylethyl malonate,malonic acid benzyl ethyl ester,ethyl benzylmalonate,acmc-20alpf,1-benzyl 3-ethyl malonate #,ethyl phenylmethyl propanedioate,1-benzyl 3-ethyl propanedioate,malonic acid 1-benzyl 3-ethyl ester,ethyl phenylmethyl propane-1,3-dioate |
| InChI Key | CGNOCUSLPSCMLL-UHFFFAOYSA-N |
| Molecular Formula | C12H14O4 |
Methyl 2-oxocyclohexanecarboxylate, 90%
CAS: 41302-34-5 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.2 MDL Number: MFCD00077699 InChI Key: JEENWEAPRWGXSG-UHFFFAOYSA-N Synonym: methyl 2-oxocyclohexanecarboxylate,2-methoxycarbonylcyclohexanone,2-carbomethoxycyclohexanone,cyclohexanecarboxylic acid, 2-oxo-, methyl ester,methyl cyclohexanone-2-carboxylate,2-oxo-cyclohexanecarboxylic acid methyl ester,2-hydroxy methyl cyclohexanone,2-oxocyclohexanecarboxylic acid, methyl ester,pubchem20380,acmc-1ao3u PubChem CID: 170489 IUPAC Name: methyl 2-oxocyclohexane-1-carboxylate SMILES: COC(=O)C1CCCCC1=O
| PubChem CID | 170489 |
|---|---|
| CAS | 41302-34-5 |
| Molecular Weight (g/mol) | 156.2 |
| MDL Number | MFCD00077699 |
| SMILES | COC(=O)C1CCCCC1=O |
| Synonym | methyl 2-oxocyclohexanecarboxylate,2-methoxycarbonylcyclohexanone,2-carbomethoxycyclohexanone,cyclohexanecarboxylic acid, 2-oxo-, methyl ester,methyl cyclohexanone-2-carboxylate,2-oxo-cyclohexanecarboxylic acid methyl ester,2-hydroxy methyl cyclohexanone,2-oxocyclohexanecarboxylic acid, methyl ester,pubchem20380,acmc-1ao3u |
| IUPAC Name | methyl 2-oxocyclohexane-1-carboxylate |
| InChI Key | JEENWEAPRWGXSG-UHFFFAOYSA-N |
| Molecular Formula | C8H12O3 |
Acetoin, 96%, dimer
CAS: 23147-57-1 Molecular Formula: C8H16O4 Molecular Weight (g/mol): 176.21 MDL Number: MFCD00038696 InChI Key: DFMGATPNJMFDCR-UHFFFAOYNA-N Synonym: acetoin,3-hydroxy-2-butanone,acetyl methyl carbinol,dimethylketol,2-butanone, 3-hydroxy,acetylmethylcarbinol,2,3-butanolone,2-hydroxy-3-butanone,1-hydroxyethyl methyl ketone,methanol, acetylmethyl PubChem CID: 179 ChEBI: CHEBI:15688 IUPAC Name: 3-hydroxybutan-2-one SMILES: CC1OC(C)(O)C(C)OC1(C)O
| PubChem CID | 179 |
|---|---|
| CAS | 23147-57-1 |
| Molecular Weight (g/mol) | 176.21 |
| ChEBI | CHEBI:15688 |
| MDL Number | MFCD00038696 |
| SMILES | CC1OC(C)(O)C(C)OC1(C)O |
| Synonym | acetoin,3-hydroxy-2-butanone,acetyl methyl carbinol,dimethylketol,2-butanone, 3-hydroxy,acetylmethylcarbinol,2,3-butanolone,2-hydroxy-3-butanone,1-hydroxyethyl methyl ketone,methanol, acetylmethyl |
| IUPAC Name | 3-hydroxybutan-2-one |
| InChI Key | DFMGATPNJMFDCR-UHFFFAOYNA-N |
| Molecular Formula | C8H16O4 |
3-Hydroxy-2-butanone, monomer + dimer, 95%
CAS: 513-86-0 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00004521,MFCD00038696 InChI Key: ROWKJAVDOGWPAT-UHFFFAOYNA-N Synonym: acetoin,3-hydroxy-2-butanone,acetyl methyl carbinol,dimethylketol,2-butanone, 3-hydroxy,acetylmethylcarbinol,2,3-butanolone,2-hydroxy-3-butanone,1-hydroxyethyl methyl ketone,methanol, acetylmethyl PubChem CID: 179 ChEBI: CHEBI:15688 IUPAC Name: 3-hydroxybutan-2-one SMILES: CC(O)C(C)=O
| PubChem CID | 179 |
|---|---|
| CAS | 513-86-0 |
| Molecular Weight (g/mol) | 88.11 |
| ChEBI | CHEBI:15688 |
| MDL Number | MFCD00004521,MFCD00038696 |
| SMILES | CC(O)C(C)=O |
| Synonym | acetoin,3-hydroxy-2-butanone,acetyl methyl carbinol,dimethylketol,2-butanone, 3-hydroxy,acetylmethylcarbinol,2,3-butanolone,2-hydroxy-3-butanone,1-hydroxyethyl methyl ketone,methanol, acetylmethyl |
| IUPAC Name | 3-hydroxybutan-2-one |
| InChI Key | ROWKJAVDOGWPAT-UHFFFAOYNA-N |
| Molecular Formula | C4H8O2 |
Desyl chloride, 98%
CAS: 447-31-4 Molecular Formula: C14H11ClO Molecular Weight (g/mol): 230.69 MDL Number: MFCD00000858 InChI Key: RXDYOLRABMJTEF-UHFFFAOYNA-N Synonym: desyl chloride,2-chloro-2-phenylacetophenone,alpha-chlorodeoxybenzoin,1,2-diphenyl-2-chloroethanone,ethanone, 2-chloro-1,2-diphenyl,alpha-chlorobenzyl phenyl ketone,2-chloro-1,2-diphenylethone,acetophenone, alpha-chloro-alpha-phenyl,2-chloro-1,2-diphenyl-ethanone,acetophenone, 2-chloro-2-phenyl PubChem CID: 95343 IUPAC Name: 2-chloro-1,2-diphenylethanone SMILES: ClC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 95343 |
|---|---|
| CAS | 447-31-4 |
| Molecular Weight (g/mol) | 230.69 |
| MDL Number | MFCD00000858 |
| SMILES | ClC(C(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | desyl chloride,2-chloro-2-phenylacetophenone,alpha-chlorodeoxybenzoin,1,2-diphenyl-2-chloroethanone,ethanone, 2-chloro-1,2-diphenyl,alpha-chlorobenzyl phenyl ketone,2-chloro-1,2-diphenylethone,acetophenone, alpha-chloro-alpha-phenyl,2-chloro-1,2-diphenyl-ethanone,acetophenone, 2-chloro-2-phenyl |
| IUPAC Name | 2-chloro-1,2-diphenylethanone |
| InChI Key | RXDYOLRABMJTEF-UHFFFAOYNA-N |
| Molecular Formula | C14H11ClO |
Fructose, Granular, FCC, 98-102%, Spectrum™ Chemical
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CAS: 57-48-7 Molecular Formula: C6H12O6 Molecular Weight (g/mol): 180.16 InChI Key: BJHIKXHVCXFQLS-UYFOZJQFSA-N IUPAC Name: (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO
| CAS | 57-48-7 |
|---|---|
| Molecular Weight (g/mol) | 180.16 |
| SMILES | OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO |
| IUPAC Name | (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one |
| InChI Key | BJHIKXHVCXFQLS-UYFOZJQFSA-N |
| Molecular Formula | C6H12O6 |