Organic acids and derivatives
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Cesium acetate, 97%, pure
CAS: 3396-11-0 Molecular Formula: C2H3CsO2 Molecular Weight (g/mol): 191.96 MDL Number: MFCD00013056 InChI Key: ZOAIGCHJWKDIPJ-UHFFFAOYSA-M Synonym: cesium acetate,acetic acid, cesium salt,caesium acetate,acetic acid, cesium salt 1:1,acetic acid, cesiumsalt,acetic acid cesium salt,caesium 1+ ion acetate,cesiumacetate,acetic acid cesium,caesium 1+ acetate ion PubChem CID: 5152919 IUPAC Name: cesium;acetate SMILES: CC(=O)[O-].[Cs+]
| PubChem CID | 5152919 |
|---|---|
| CAS | 3396-11-0 |
| Molecular Weight (g/mol) | 191.96 |
| MDL Number | MFCD00013056 |
| SMILES | CC(=O)[O-].[Cs+] |
| Synonym | cesium acetate,acetic acid, cesium salt,caesium acetate,acetic acid, cesium salt 1:1,acetic acid, cesiumsalt,acetic acid cesium salt,caesium 1+ ion acetate,cesiumacetate,acetic acid cesium,caesium 1+ acetate ion |
| IUPAC Name | cesium;acetate |
| InChI Key | ZOAIGCHJWKDIPJ-UHFFFAOYSA-M |
| Molecular Formula | C2H3CsO2 |
p-Tolylacetic acid, 99%
CAS: 622-47-9 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00004353 InChI Key: GXXXUZIRGXYDFP-UHFFFAOYSA-N Synonym: p-tolylacetic acid,4-methylphenylacetic acid,2-p-tolyl acetic acid,2-4-methylphenyl acetic acid,p-methylphenylacetic acid,4-tolylacetic acid,4-methylphenyl acetic acid,benzeneacetic acid, 4-methyl,acetic acid, p-tolyl,2-p-tolylacetic acid PubChem CID: 248474 IUPAC Name: 2-(4-methylphenyl)acetic acid SMILES: CC1=CC=C(C=C1)CC(=O)O
| PubChem CID | 248474 |
|---|---|
| CAS | 622-47-9 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00004353 |
| SMILES | CC1=CC=C(C=C1)CC(=O)O |
| Synonym | p-tolylacetic acid,4-methylphenylacetic acid,2-p-tolyl acetic acid,2-4-methylphenyl acetic acid,p-methylphenylacetic acid,4-tolylacetic acid,4-methylphenyl acetic acid,benzeneacetic acid, 4-methyl,acetic acid, p-tolyl,2-p-tolylacetic acid |
| IUPAC Name | 2-(4-methylphenyl)acetic acid |
| InChI Key | GXXXUZIRGXYDFP-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
3,3-Dimethylallyl acetate, 98%, stab. with 0.1% alpha tocopherol, Thermo Scientific Chemicals
CAS: 1191-16-8 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00036569 InChI Key: XXIKYCPRDXIMQM-UHFFFAOYSA-N Synonym: prenyl acetate,3,3-dimethylallyl acetate,3-methyl-2-butenyl acetate,isopent-2-enyl acetate,3-methylbut-2-en-1-yl acetate,dimethylallyl acetate,2-buten-1-ol, 3-methyl-, acetate,3-methyl-2-buten-1-ol, acetate,unii-i7kov03hgs,isopentenyl acetate PubChem CID: 14489 IUPAC Name: 3-methylbut-2-enyl acetate SMILES: CC(C)=CCOC(C)=O
| PubChem CID | 14489 |
|---|---|
| CAS | 1191-16-8 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00036569 |
| SMILES | CC(C)=CCOC(C)=O |
| Synonym | prenyl acetate,3,3-dimethylallyl acetate,3-methyl-2-butenyl acetate,isopent-2-enyl acetate,3-methylbut-2-en-1-yl acetate,dimethylallyl acetate,2-buten-1-ol, 3-methyl-, acetate,3-methyl-2-buten-1-ol, acetate,unii-i7kov03hgs,isopentenyl acetate |
| IUPAC Name | 3-methylbut-2-enyl acetate |
| InChI Key | XXIKYCPRDXIMQM-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
Isopropyl formate, 98%
CAS: 625-55-8 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00014127 InChI Key: RMOUBSOVHSONPZ-UHFFFAOYSA-N Synonym: isopropyl formate,formic acid, 1-methylethyl ester,formic acid isopropyl ester,formic acid, isopropyl ester,isopropyl methanoate,1-methylethyl formate,methylethyl formate,unii-h1l164w42g,fema no. 2944,hcooch ch3 2 PubChem CID: 12257 IUPAC Name: propan-2-yl formate SMILES: CC(C)OC=O
| PubChem CID | 12257 |
|---|---|
| CAS | 625-55-8 |
| Molecular Weight (g/mol) | 88.11 |
| MDL Number | MFCD00014127 |
| SMILES | CC(C)OC=O |
| Synonym | isopropyl formate,formic acid, 1-methylethyl ester,formic acid isopropyl ester,formic acid, isopropyl ester,isopropyl methanoate,1-methylethyl formate,methylethyl formate,unii-h1l164w42g,fema no. 2944,hcooch ch3 2 |
| IUPAC Name | propan-2-yl formate |
| InChI Key | RMOUBSOVHSONPZ-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2 |
Ethyl stearate, 97%
CAS: 111-61-5 Molecular Formula: C20H40O2 Molecular Weight (g/mol): 312.52 MDL Number: MFCD00009006 InChI Key: MVLVMROFTAUDAG-UHFFFAOYSA-N Synonym: ethyl stearate,stearic acid ethyl ester,octadecanoic acid, ethyl ester,ethyl n-octadecanoate,stearic acid, ethyl ester,dicyclohexylammonium sulfate,unii-c64rtc734w,fema no. 3490,ethyl-stearate,ethyloctadecanoate PubChem CID: 8122 ChEBI: CHEBI:84936 IUPAC Name: ethyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC
| PubChem CID | 8122 |
|---|---|
| CAS | 111-61-5 |
| Molecular Weight (g/mol) | 312.52 |
| ChEBI | CHEBI:84936 |
| MDL Number | MFCD00009006 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC |
| Synonym | ethyl stearate,stearic acid ethyl ester,octadecanoic acid, ethyl ester,ethyl n-octadecanoate,stearic acid, ethyl ester,dicyclohexylammonium sulfate,unii-c64rtc734w,fema no. 3490,ethyl-stearate,ethyloctadecanoate |
| IUPAC Name | ethyl octadecanoate |
| InChI Key | MVLVMROFTAUDAG-UHFFFAOYSA-N |
| Molecular Formula | C20H40O2 |
Methyl formate, 97%, pure
CAS: 107-31-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 60.05 MDL Number: MFCD00003291 InChI Key: TZIHFWKZFHZASV-UHFFFAOYSA-N Synonym: formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 PubChem CID: 7865 ChEBI: CHEBI:77699 IUPAC Name: methyl formate SMILES: COC=O
| PubChem CID | 7865 |
|---|---|
| CAS | 107-31-3 |
| Molecular Weight (g/mol) | 60.05 |
| ChEBI | CHEBI:77699 |
| MDL Number | MFCD00003291 |
| SMILES | COC=O |
| Synonym | formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 |
| IUPAC Name | methyl formate |
| InChI Key | TZIHFWKZFHZASV-UHFFFAOYSA-N |
| Molecular Formula | C2H4O2 |
Ethyl 4-aminophenylacetate, 98%
CAS: 5438-70-0 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.219 MDL Number: MFCD00017569 InChI Key: CFNDVXUTYPXOPG-UHFFFAOYSA-N Synonym: ethyl 4-aminophenylacetate,ethyl 2-4-aminophenyl acetate,p-aminophenylacetic acid ethyl ester,4-aminophenylacetic acid ethyl ester,ethyl 4-aminophenyl acetate,ethyl p-aminophenylacetate,unii-5h8cfu7gnp,benzeneacetic acid, 4-amino-, ethyl ester,ethyl-4-aminophenylacetate PubChem CID: 225219 IUPAC Name: ethyl 2-(4-aminophenyl)acetate SMILES: CCOC(=O)CC1=CC=C(C=C1)N
| PubChem CID | 225219 |
|---|---|
| CAS | 5438-70-0 |
| Molecular Weight (g/mol) | 179.219 |
| MDL Number | MFCD00017569 |
| SMILES | CCOC(=O)CC1=CC=C(C=C1)N |
| Synonym | ethyl 4-aminophenylacetate,ethyl 2-4-aminophenyl acetate,p-aminophenylacetic acid ethyl ester,4-aminophenylacetic acid ethyl ester,ethyl 4-aminophenyl acetate,ethyl p-aminophenylacetate,unii-5h8cfu7gnp,benzeneacetic acid, 4-amino-, ethyl ester,ethyl-4-aminophenylacetate |
| IUPAC Name | ethyl 2-(4-aminophenyl)acetate |
| InChI Key | CFNDVXUTYPXOPG-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO2 |
Ethyl palmitate, 97%
CAS: 628-97-7 Molecular Formula: C18H36O2 Molecular Weight (g/mol): 284.48 MDL Number: MFCD00008996 InChI Key: XIRNKXNNONJFQO-UHFFFAOYSA-N Synonym: ethyl palmitate,hexadecanoic acid, ethyl ester,palmitic acid ethyl ester,ethyl cetylate,palmitic acid, ethyl ester,ethylpalmitate,unii-ird3m534zm,hexadecanoic acid ethyl ester,ethyl n-hexadecanoate,ird3m534zm PubChem CID: 12366 ChEBI: CHEBI:84932 IUPAC Name: ethyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC
| PubChem CID | 12366 |
|---|---|
| CAS | 628-97-7 |
| Molecular Weight (g/mol) | 284.48 |
| ChEBI | CHEBI:84932 |
| MDL Number | MFCD00008996 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC |
| Synonym | ethyl palmitate,hexadecanoic acid, ethyl ester,palmitic acid ethyl ester,ethyl cetylate,palmitic acid, ethyl ester,ethylpalmitate,unii-ird3m534zm,hexadecanoic acid ethyl ester,ethyl n-hexadecanoate,ird3m534zm |
| IUPAC Name | ethyl hexadecanoate |
| InChI Key | XIRNKXNNONJFQO-UHFFFAOYSA-N |
| Molecular Formula | C18H36O2 |
Ethyl trimethylacetopyruvate, 98%
CAS: 13395-36-3 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.234 MDL Number: MFCD00052319 InChI Key: NIMKIMUBJFWPTD-UHFFFAOYSA-N Synonym: ethyl trimethylacetopyruvate,hexanoic acid, 5,5-dimethyl-2,4-dioxo-, ethyl ester,5,5-dimethyl-2,4-dioxo-hexanoic acid ethyl ester,5,5-dimethyl-2,4-dioxohexanoic acid ethyl ester,ethyl pivaloylpyruvate,pivaloylpyruvic acid ethyl ester,3-pivaloylpyruvic acid ethyl ester,ethyl5,5-dimethyl-2,4-dioxohexanoate,trimethylacetopyruvic acid ethyl ester,ethyl 5,5-dimethyl-2,4-dioxo-hexanoate PubChem CID: 83403 IUPAC Name: ethyl 5,5-dimethyl-2,4-dioxohexanoate SMILES: CCOC(=O)C(=O)CC(=O)C(C)(C)C
| PubChem CID | 83403 |
|---|---|
| CAS | 13395-36-3 |
| Molecular Weight (g/mol) | 200.234 |
| MDL Number | MFCD00052319 |
| SMILES | CCOC(=O)C(=O)CC(=O)C(C)(C)C |
| Synonym | ethyl trimethylacetopyruvate,hexanoic acid, 5,5-dimethyl-2,4-dioxo-, ethyl ester,5,5-dimethyl-2,4-dioxo-hexanoic acid ethyl ester,5,5-dimethyl-2,4-dioxohexanoic acid ethyl ester,ethyl pivaloylpyruvate,pivaloylpyruvic acid ethyl ester,3-pivaloylpyruvic acid ethyl ester,ethyl5,5-dimethyl-2,4-dioxohexanoate,trimethylacetopyruvic acid ethyl ester,ethyl 5,5-dimethyl-2,4-dioxo-hexanoate |
| IUPAC Name | ethyl 5,5-dimethyl-2,4-dioxohexanoate |
| InChI Key | NIMKIMUBJFWPTD-UHFFFAOYSA-N |
| Molecular Formula | C10H16O4 |
Ethyl isobutyrate, 98%
CAS: 97-62-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009165 InChI Key: WDAXFOBOLVPGLV-UHFFFAOYSA-N Synonym: ethyl isobutyrate,ethyl isobutanoate,ethylisobutyrate,isobutyric acid ethyl ester,ethyl 2,2-dimethylacetate,propanoic acid, 2-methyl-, ethyl ester,isobutyric acid, ethyl ester,ethyl 2-methylpropionate,propionic acid, 2-methyl-, ethyl ester,ethyl isobutyrate natural PubChem CID: 7342 ChEBI: CHEBI:87303 IUPAC Name: ethyl 2-methylpropanoate SMILES: CCOC(=O)C(C)C
| PubChem CID | 7342 |
|---|---|
| CAS | 97-62-1 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:87303 |
| MDL Number | MFCD00009165 |
| SMILES | CCOC(=O)C(C)C |
| Synonym | ethyl isobutyrate,ethyl isobutanoate,ethylisobutyrate,isobutyric acid ethyl ester,ethyl 2,2-dimethylacetate,propanoic acid, 2-methyl-, ethyl ester,isobutyric acid, ethyl ester,ethyl 2-methylpropionate,propionic acid, 2-methyl-, ethyl ester,ethyl isobutyrate natural |
| IUPAC Name | ethyl 2-methylpropanoate |
| InChI Key | WDAXFOBOLVPGLV-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Ethyl 4-pentenoate, 98+%
CAS: 1968-40-7 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 MDL Number: MFCD00036562 InChI Key: PTVSRINJXWDIKP-UHFFFAOYSA-N Synonym: ethyl 4-pentenoate,4-pentenoic acid ethyl ester,4-pentenoic acid, ethyl ester,ethyl pent-4-en-1-oate,unii-210um0f8jp,4-ethoxycarbonylbut-1-ene,pent-4-enoic acid ethyl ester,ethyl allylacetate,ethyl 4-pentenate,ethylpent-4-enoate PubChem CID: 74786 IUPAC Name: ethyl pent-4-enoate SMILES: CCOC(=O)CCC=C
| PubChem CID | 74786 |
|---|---|
| CAS | 1968-40-7 |
| Molecular Weight (g/mol) | 128.171 |
| MDL Number | MFCD00036562 |
| SMILES | CCOC(=O)CCC=C |
| Synonym | ethyl 4-pentenoate,4-pentenoic acid ethyl ester,4-pentenoic acid, ethyl ester,ethyl pent-4-en-1-oate,unii-210um0f8jp,4-ethoxycarbonylbut-1-ene,pent-4-enoic acid ethyl ester,ethyl allylacetate,ethyl 4-pentenate,ethylpent-4-enoate |
| IUPAC Name | ethyl pent-4-enoate |
| InChI Key | PTVSRINJXWDIKP-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
Ethyl 3-pyridylacetate, 99%
CAS: 39931-77-6 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD00006411 InChI Key: RPWXYCRIAGBAGY-UHFFFAOYSA-N Synonym: ethyl 3-pyridylacetate,ethyl 2-pyridin-3-yl acetate,ethyl 3-pyridineacetate,3-pyridineacetic acid, ethyl ester,acetic acid, 2-3-pyridyl-, ethyl ester,pyridin-3-yl-acetic acid ethyl ester,3-pyridylacetic acid ethyl ester,ethyl 2-3-pyridyl acetate,pubchem20506,ethyl-3-pyridyl-acetate PubChem CID: 96490 IUPAC Name: ethyl 2-pyridin-3-ylacetate SMILES: CCOC(=O)CC1=CN=CC=C1
| PubChem CID | 96490 |
|---|---|
| CAS | 39931-77-6 |
| Molecular Weight (g/mol) | 165.19 |
| MDL Number | MFCD00006411 |
| SMILES | CCOC(=O)CC1=CN=CC=C1 |
| Synonym | ethyl 3-pyridylacetate,ethyl 2-pyridin-3-yl acetate,ethyl 3-pyridineacetate,3-pyridineacetic acid, ethyl ester,acetic acid, 2-3-pyridyl-, ethyl ester,pyridin-3-yl-acetic acid ethyl ester,3-pyridylacetic acid ethyl ester,ethyl 2-3-pyridyl acetate,pubchem20506,ethyl-3-pyridyl-acetate |
| IUPAC Name | ethyl 2-pyridin-3-ylacetate |
| InChI Key | RPWXYCRIAGBAGY-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
3-(4-Pyridyl)propionic acid, 97%
CAS: 6318-43-0 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00084846 InChI Key: WSXGQYDHJZKQQB-UHFFFAOYSA-N Synonym: 3-pyridin-4-yl propanoic acid,3-pyridin-4-yl-propionic acid,4-pyridinepropanoic acid,4-pyridinepropionic acid,3-4-pyridinyl propanoic acid,3-4-pyridyl propanoic acid,3-4-pyridyl propionic acid,3-pyridin-4-yl propionic acid,4-carboxyethylpyridine,acmc-1b6yz PubChem CID: 233243 IUPAC Name: 3-pyridin-4-ylpropanoic acid SMILES: C1=CN=CC=C1CCC(=O)O
| PubChem CID | 233243 |
|---|---|
| CAS | 6318-43-0 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD00084846 |
| SMILES | C1=CN=CC=C1CCC(=O)O |
| Synonym | 3-pyridin-4-yl propanoic acid,3-pyridin-4-yl-propionic acid,4-pyridinepropanoic acid,4-pyridinepropionic acid,3-4-pyridinyl propanoic acid,3-4-pyridyl propanoic acid,3-4-pyridyl propionic acid,3-pyridin-4-yl propionic acid,4-carboxyethylpyridine,acmc-1b6yz |
| IUPAC Name | 3-pyridin-4-ylpropanoic acid |
| InChI Key | WSXGQYDHJZKQQB-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
Ethyl octanoate, 99%
CAS: 106-32-1 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.27 MDL Number: MFCD00009552 InChI Key: YYZUSRORWSJGET-UHFFFAOYSA-N Synonym: ethyl caprylate,octanoic acid, ethyl ester,ethyl n-octanoate,caprylic acid ethyl ester,ethyl octoate,ethyl octylate,octanoic acid ethyl ester,natural,unii-81c5mop582,fema no. 2449 PubChem CID: 7799 ChEBI: CHEBI:87426 IUPAC Name: ethyl octanoate SMILES: CCCCCCCC(=O)OCC
| PubChem CID | 7799 |
|---|---|
| CAS | 106-32-1 |
| Molecular Weight (g/mol) | 172.27 |
| ChEBI | CHEBI:87426 |
| MDL Number | MFCD00009552 |
| SMILES | CCCCCCCC(=O)OCC |
| Synonym | ethyl caprylate,octanoic acid, ethyl ester,ethyl n-octanoate,caprylic acid ethyl ester,ethyl octoate,ethyl octylate,octanoic acid ethyl ester,natural,unii-81c5mop582,fema no. 2449 |
| IUPAC Name | ethyl octanoate |
| InChI Key | YYZUSRORWSJGET-UHFFFAOYSA-N |
| Molecular Formula | C10H20O2 |
Ethyl 3-hexenoate, 98%
CAS: 2396-83-0 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00036524 InChI Key: VTSFIPHRNAESED-AATRIKPKSA-N Synonym: ethyl 3-hexenoate,3-hexenoic acid, ethyl ester,ethyl hex-3-enoate,ethyl e-hex-3-enoate,3-hexenoic acid, ethyl ester, e,ethyl trans-3-hexenoate,ethyl e-3-hexenoate,e-3-hexenoic acid ethyl ester,ethyl hydrosorbate,3-hexenoic acid, ethyl ester, 3e PubChem CID: 5362622 IUPAC Name: ethyl (E)-hex-3-enoate SMILES: CCOC(=O)C\C=C\CC
| PubChem CID | 5362622 |
|---|---|
| CAS | 2396-83-0 |
| Molecular Weight (g/mol) | 142.20 |
| MDL Number | MFCD00036524 |
| SMILES | CCOC(=O)C\C=C\CC |
| Synonym | ethyl 3-hexenoate,3-hexenoic acid, ethyl ester,ethyl hex-3-enoate,ethyl e-hex-3-enoate,3-hexenoic acid, ethyl ester, e,ethyl trans-3-hexenoate,ethyl e-3-hexenoate,e-3-hexenoic acid ethyl ester,ethyl hydrosorbate,3-hexenoic acid, ethyl ester, 3e |
| IUPAC Name | ethyl (E)-hex-3-enoate |
| InChI Key | VTSFIPHRNAESED-AATRIKPKSA-N |
| Molecular Formula | C8H14O2 |