Carboxylic acids and derivatives
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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 |
2,2-Di-n-propylacetic acid, 98+%
CAS: 99-66-1 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00002672 InChI Key: NIJJYAXOARWZEE-UHFFFAOYSA-N Synonym: valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl PubChem CID: 3121 ChEBI: CHEBI:39867 IUPAC Name: 2-propylpentanoic acid SMILES: CCCC(CCC)C(O)=O
| PubChem CID | 3121 |
|---|---|
| CAS | 99-66-1 |
| Molecular Weight (g/mol) | 144.21 |
| ChEBI | CHEBI:39867 |
| MDL Number | MFCD00002672 |
| SMILES | CCCC(CCC)C(O)=O |
| Synonym | valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl |
| IUPAC Name | 2-propylpentanoic acid |
| InChI Key | NIJJYAXOARWZEE-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
Ethyl hexanoate, 99%
CAS: 123-66-0 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00009511 InChI Key: SHZIWNPUGXLXDT-UHFFFAOYSA-N Synonym: ethyl caproate,ethyl hexoate,hexanoic acid, ethyl ester,hexanoic acid ethyl ester,capronic ether absolute,caproic acid ethyl ester,ethyl n-hexanoate,ethyl butyl acetate,caproate,acetic acid, butyl-, ethyl ester PubChem CID: 31265 ChEBI: CHEBI:86055 IUPAC Name: ethyl hexanoate SMILES: CCCCCC(=O)OCC
| PubChem CID | 31265 |
|---|---|
| CAS | 123-66-0 |
| Molecular Weight (g/mol) | 144.214 |
| ChEBI | CHEBI:86055 |
| MDL Number | MFCD00009511 |
| SMILES | CCCCCC(=O)OCC |
| Synonym | ethyl caproate,ethyl hexoate,hexanoic acid, ethyl ester,hexanoic acid ethyl ester,capronic ether absolute,caproic acid ethyl ester,ethyl n-hexanoate,ethyl butyl acetate,caproate,acetic acid, butyl-, ethyl ester |
| IUPAC Name | ethyl hexanoate |
| InChI Key | SHZIWNPUGXLXDT-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
Ethyl valerate, 98%
CAS: 539-82-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00009479 InChI Key: ICMAFTSLXCXHRK-UHFFFAOYSA-N Synonym: ethyl valerate,ethyl n-valerate,pentanoic acid, ethyl ester,valeric acid, ethyl ester,ethylvalerate,ethyl valerianate,pentanoic acid ethyl ester,n-valeric acid ethyl ester,valeric acid, ethyl ester 8ci,fema no. 2462 PubChem CID: 10882 IUPAC Name: ethyl pentanoate SMILES: CCCCC(=O)OCC
| PubChem CID | 10882 |
|---|---|
| CAS | 539-82-2 |
| Molecular Weight (g/mol) | 130.187 |
| MDL Number | MFCD00009479 |
| SMILES | CCCCC(=O)OCC |
| Synonym | ethyl valerate,ethyl n-valerate,pentanoic acid, ethyl ester,valeric acid, ethyl ester,ethylvalerate,ethyl valerianate,pentanoic acid ethyl ester,n-valeric acid ethyl ester,valeric acid, ethyl ester 8ci,fema no. 2462 |
| IUPAC Name | ethyl pentanoate |
| InChI Key | ICMAFTSLXCXHRK-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
3-(4-Chlorophenyl)propionic acid, 94%
CAS: 2019-34-3 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00016555 InChI Key: BBSLOKZINKEUCR-UHFFFAOYSA-N Synonym: 3-4-chlorophenyl propanoic acid,3-4-chlorophenyl propionic acid,benzenepropanoic acid, 4-chloro,4-chlorophenylpropionic acid,p-chlorohydrocinnamic acid,3-4-chlorophenyl-propionic acid,4-chlorobenzenepropanoic acid,3-4-chloro-phenyl-propionic acid,3-p-chlorophenyl propionic acid,4-chlorohydrocinnamic acid PubChem CID: 123137 IUPAC Name: 3-(4-chlorophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)Cl
| PubChem CID | 123137 |
|---|---|
| CAS | 2019-34-3 |
| Molecular Weight (g/mol) | 184.619 |
| MDL Number | MFCD00016555 |
| SMILES | C1=CC(=CC=C1CCC(=O)O)Cl |
| Synonym | 3-4-chlorophenyl propanoic acid,3-4-chlorophenyl propionic acid,benzenepropanoic acid, 4-chloro,4-chlorophenylpropionic acid,p-chlorohydrocinnamic acid,3-4-chlorophenyl-propionic acid,4-chlorobenzenepropanoic acid,3-4-chloro-phenyl-propionic acid,3-p-chlorophenyl propionic acid,4-chlorohydrocinnamic acid |
| IUPAC Name | 3-(4-chlorophenyl)propanoic acid |
| InChI Key | BBSLOKZINKEUCR-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO2 |
Sodium Lactate Solution, FCC, 60%, Spectrum™ Chemical
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Molecular Formula: C3H5NaO3 Molecular Weight (g/mol): 112.06 InChI Key: NGSFWBMYFKHRBD-UHFFFAOYNA-M IUPAC Name: sodium 2-hydroxypropanoate SMILES: [Na+].CC(O)C([O-])=O
| Molecular Weight (g/mol) | 112.06 |
|---|---|
| SMILES | [Na+].CC(O)C([O-])=O |
| IUPAC Name | sodium 2-hydroxypropanoate |
| InChI Key | NGSFWBMYFKHRBD-UHFFFAOYNA-M |
| Molecular Formula | C3H5NaO3 |
Sodium Propionate, FCC, 99-100.5%, Spectrum™ Chemical
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CAS: 137-40-6 Molecular Formula: C3H5NaO2 Molecular Weight (g/mol): 96.06 InChI Key: JXKPEJDQGNYQSM-UHFFFAOYSA-M IUPAC Name: sodium propanoate SMILES: [Na+].CCC([O-])=O
| CAS | 137-40-6 |
|---|---|
| Molecular Weight (g/mol) | 96.06 |
| SMILES | [Na+].CCC([O-])=O |
| IUPAC Name | sodium propanoate |
| InChI Key | JXKPEJDQGNYQSM-UHFFFAOYSA-M |
| Molecular Formula | C3H5NaO2 |
Isonicotinic acid hydrazide, 98+%
CAS: 54-85-3 Molecular Formula: C6H7N3O Molecular Weight (g/mol): 137.142 MDL Number: MFCD00006426 InChI Key: QRXWMOHMRWLFEY-UHFFFAOYSA-N Synonym: isoniazid,isonicotinic acid hydrazide,isonicotinohydrazide,rimifon,isoniazide,nydrazid,isonicotinic hydrazide,laniazid,isonicotinylhydrazine,andrazide PubChem CID: 3767 ChEBI: CHEBI:6030 IUPAC Name: pyridine-4-carbohydrazide SMILES: C1=CN=CC=C1C(=O)NN
| PubChem CID | 3767 |
|---|---|
| CAS | 54-85-3 |
| Molecular Weight (g/mol) | 137.142 |
| ChEBI | CHEBI:6030 |
| MDL Number | MFCD00006426 |
| SMILES | C1=CN=CC=C1C(=O)NN |
| Synonym | isoniazid,isonicotinic acid hydrazide,isonicotinohydrazide,rimifon,isoniazide,nydrazid,isonicotinic hydrazide,laniazid,isonicotinylhydrazine,andrazide |
| IUPAC Name | pyridine-4-carbohydrazide |
| InChI Key | QRXWMOHMRWLFEY-UHFFFAOYSA-N |
| Molecular Formula | C6H7N3O |
Ethyl L-lactate, 99%
CAS: 687-47-8 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.132 MDL Number: MFCD00065359 InChI Key: LZCLXQDLBQLTDK-BYPYZUCNSA-N Synonym: ethyl l-lactate,ethyl 2s-2-hydroxypropanoate,l-ethyl lactate,l---ethyl lactate,ethyl l--lactate,ethyl s-2-hydroxypropionate,ethyl l---lactate,s-ethyl lactate,propanoic acid, 2-hydroxy-, ethyl ester, 2s PubChem CID: 92831 ChEBI: CHEBI:78322 IUPAC Name: ethyl (2S)-2-hydroxypropanoate SMILES: CCOC(=O)C(C)O
| PubChem CID | 92831 |
|---|---|
| CAS | 687-47-8 |
| Molecular Weight (g/mol) | 118.132 |
| ChEBI | CHEBI:78322 |
| MDL Number | MFCD00065359 |
| SMILES | CCOC(=O)C(C)O |
| Synonym | ethyl l-lactate,ethyl 2s-2-hydroxypropanoate,l-ethyl lactate,l---ethyl lactate,ethyl l--lactate,ethyl s-2-hydroxypropionate,ethyl l---lactate,s-ethyl lactate,propanoic acid, 2-hydroxy-, ethyl ester, 2s |
| IUPAC Name | ethyl (2S)-2-hydroxypropanoate |
| InChI Key | LZCLXQDLBQLTDK-BYPYZUCNSA-N |
| Molecular Formula | C5H10O3 |
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 |
L-Ascorbic acid, ≥99%, MP Biomedicals™
CAS: 134-03-2 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 InChI Key: IFVCRSPJFHGFCG-HXPAKLQESA-N Synonym: sodium ascorbate,l-ascorbic acid sodium salt,sodium l-ascorbate,vitamin c sodium,ascorbicin,sodascorbate,cebitate,aminofenitrooxon,natrii ascorbas,monosodium l-ascorbate PubChem CID: 131674100 IUPAC Name: sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide SMILES: [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O
| PubChem CID | 131674100 |
|---|---|
| CAS | 134-03-2 |
| Molecular Weight (g/mol) | 198.11 |
| SMILES | [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O |
| Synonym | sodium ascorbate,l-ascorbic acid sodium salt,sodium l-ascorbate,vitamin c sodium,ascorbicin,sodascorbate,cebitate,aminofenitrooxon,natrii ascorbas,monosodium l-ascorbate |
| IUPAC Name | sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide |
| InChI Key | IFVCRSPJFHGFCG-HXPAKLQESA-N |
| Molecular Formula | C6H7NaO6 |
2-Phenoxyacetamide, 98%
CAS: 621-88-5 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.17 MDL Number: MFCD00017140 InChI Key: AOPRXJXHLWYPQR-UHFFFAOYSA-N Synonym: phenoxyacetamide,acetamide, 2-phenoxy,phenoxyacetic amide,alpha-phenoxyacetamide,2-phenoxyethanamide,2-phenoxy acetamide,pubchem12494,acmc-20ajx9,maybridge1_008727,po6 PubChem CID: 69314 IUPAC Name: 2-phenoxyacetamide SMILES: NC(=O)COC1=CC=CC=C1
| PubChem CID | 69314 |
|---|---|
| CAS | 621-88-5 |
| Molecular Weight (g/mol) | 151.17 |
| MDL Number | MFCD00017140 |
| SMILES | NC(=O)COC1=CC=CC=C1 |
| Synonym | phenoxyacetamide,acetamide, 2-phenoxy,phenoxyacetic amide,alpha-phenoxyacetamide,2-phenoxyethanamide,2-phenoxy acetamide,pubchem12494,acmc-20ajx9,maybridge1_008727,po6 |
| IUPAC Name | 2-phenoxyacetamide |
| InChI Key | AOPRXJXHLWYPQR-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
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 |
n-Butylidenephthalide, (E)+(Z), 95%
CAS: 551-08-6 Molecular Formula: C12H12O2 Molecular Weight (g/mol): 188.23 MDL Number: MFCD00047319,MFCD00047319 InChI Key: WMBOCUXXNSOQHM-DHZHZOJOSA-N Synonym: ligusticum lactone,butylidene phthalide,n-butylidene phthalide,3-butylidene-1 3h-isobenzofuranone,3-butylidenephthalide,phthalide, 3-butylidene,fema no. 3333,bdph,3-butylidene phthalide,1 3h-isobenzofuranone, 3-butylidene PubChem CID: 5352899 IUPAC Name: (3E)-3-butylidene-2-benzofuran-1-one SMILES: CCC\C=C1\OC(=O)C2=CC=CC=C12
| PubChem CID | 5352899 |
|---|---|
| CAS | 551-08-6 |
| Molecular Weight (g/mol) | 188.23 |
| MDL Number | MFCD00047319,MFCD00047319 |
| SMILES | CCC\C=C1\OC(=O)C2=CC=CC=C12 |
| Synonym | ligusticum lactone,butylidene phthalide,n-butylidene phthalide,3-butylidene-1 3h-isobenzofuranone,3-butylidenephthalide,phthalide, 3-butylidene,fema no. 3333,bdph,3-butylidene phthalide,1 3h-isobenzofuranone, 3-butylidene |
| IUPAC Name | (3E)-3-butylidene-2-benzofuran-1-one |
| InChI Key | WMBOCUXXNSOQHM-DHZHZOJOSA-N |
| Molecular Formula | C12H12O2 |
BAPTA, 97%
CAS: 85233-19-8 Molecular Formula: C22H24N2O10 Molecular Weight (g/mol): 476.44 MDL Number: MFCD00036255 InChI Key: FTEDXVNDVHYDQW-UHFFFAOYSA-N Synonym: bapta,bapeta,1,2-bis 2-aminophenoxy ethane-n,n,n',n'-tetraacetic acid,ca ii-bapta,1,2-bis-2-aminophenoxy ethane n,n,n',n'-tetraacetic acid,unii-k22ddw77c0,1,2-bis o-aminophenoxy ethane-n,n,n',n'-tetraacetic acid,bapta tetrasodium salt hydrate,glycine, n,n'-1,2-ethanediylbis oxy-2,1-phenylene bis n-carboxymethyl,2,2',2,2'-ethane-1,2-diylbis oxy-2,1-phenylenenitrilo tetraacetic acid PubChem CID: 104751 ChEBI: CHEBI:60888 IUPAC Name: 2-{[2-(2-{2-[bis(carboxymethyl)amino]phenoxy}ethoxy)phenyl](carboxymethyl)amino}acetic acid SMILES: OC(=O)CN(CC(O)=O)C1=CC=CC=C1OCCOC1=CC=CC=C1N(CC(O)=O)CC(O)=O
| PubChem CID | 104751 |
|---|---|
| CAS | 85233-19-8 |
| Molecular Weight (g/mol) | 476.44 |
| ChEBI | CHEBI:60888 |
| MDL Number | MFCD00036255 |
| SMILES | OC(=O)CN(CC(O)=O)C1=CC=CC=C1OCCOC1=CC=CC=C1N(CC(O)=O)CC(O)=O |
| Synonym | bapta,bapeta,1,2-bis 2-aminophenoxy ethane-n,n,n',n'-tetraacetic acid,ca ii-bapta,1,2-bis-2-aminophenoxy ethane n,n,n',n'-tetraacetic acid,unii-k22ddw77c0,1,2-bis o-aminophenoxy ethane-n,n,n',n'-tetraacetic acid,bapta tetrasodium salt hydrate,glycine, n,n'-1,2-ethanediylbis oxy-2,1-phenylene bis n-carboxymethyl,2,2',2,2'-ethane-1,2-diylbis oxy-2,1-phenylenenitrilo tetraacetic acid |
| IUPAC Name | 2-{[2-(2-{2-[bis(carboxymethyl)amino]phenoxy}ethoxy)phenyl](carboxymethyl)amino}acetic acid |
| InChI Key | FTEDXVNDVHYDQW-UHFFFAOYSA-N |
| Molecular Formula | C22H24N2O10 |