Carboxylic acids and derivatives
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1-Adamantaneacetic acid, 98+%
CAS: 4942-47-6 Molecular Formula: C12H17O2 Molecular Weight (g/mol): 193.27 MDL Number: MFCD00074728 InChI Key: AOTQGWFNFTVXNQ-UHFFFAOYSA-M Synonym: 1-adamantaneacetic acid,2-adamantan-1-yl acetic acid,1-adamantylacetic acid,1-adamantane acetic acid,adamantan-1-ylacetic acid,2-1-adamantyl acetic acid,tricyclo 3.3.1.13,7 dec-1-ylacetic acid,adamantan-1-yl-acetic acid,1-carboxymethyl adamantane PubChem CID: 123221 IUPAC Name: 2-(1-adamantyl)acetic acid SMILES: [O-]C(=O)CC12CC3CC(CC(C3)C1)C2
| PubChem CID | 123221 |
|---|---|
| CAS | 4942-47-6 |
| Molecular Weight (g/mol) | 193.27 |
| MDL Number | MFCD00074728 |
| SMILES | [O-]C(=O)CC12CC3CC(CC(C3)C1)C2 |
| Synonym | 1-adamantaneacetic acid,2-adamantan-1-yl acetic acid,1-adamantylacetic acid,1-adamantane acetic acid,adamantan-1-ylacetic acid,2-1-adamantyl acetic acid,tricyclo 3.3.1.13,7 dec-1-ylacetic acid,adamantan-1-yl-acetic acid,1-carboxymethyl adamantane |
| IUPAC Name | 2-(1-adamantyl)acetic acid |
| InChI Key | AOTQGWFNFTVXNQ-UHFFFAOYSA-M |
| Molecular Formula | C12H17O2 |
Bismuth Subgallate, Powder, Purified, Approx. 55%, Spectrum™ Chemical
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CAS: 99-26-3
| CAS | 99-26-3 |
|---|
Butyl Butyrate, 98%, Spectrum™ Chemical
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CAS: 109-21-7
| CAS | 109-21-7 |
|---|
Ethyl benzimidazole-4-carboxylate, 95%, Thermo Scientific Chemicals
CAS: 167487-83-4 Molecular Formula: C10H10N2O2 Molecular Weight (g/mol): 190.20 MDL Number: MFCD18251681,MFCD20692524 InChI Key: BIROFVBTDWNLKU-UHFFFAOYSA-N Synonym: ethyl 1h-benzo d imidazole-7-carboxylate,ethyl 4-benzimidazolecarboxylate,ethyl 3h-benzo d imidazole-4-carboxylate,ethyl 1h-benzo d imidazole-4-carboxylate,1h-benzimidazole-4-carboxylic acid, ethyl ester,1h-benzimidazole-7-carboxylic acid, ethyl ester,ethyl 1h-1,3-benzodiazole-4-carboxylate,ethyl4-benzimidazolecarboxylate,1h-benzimidazole-4-carboxylicacid,ethylester,1h-benzimidazole-4-carboxylic acid ethyl ester PubChem CID: 13180239 IUPAC Name: ethyl 1H-1,3-benzodiazole-4-carboxylate SMILES: CCOC(=O)C1=C2N=CNC2=CC=C1
| PubChem CID | 13180239 |
|---|---|
| CAS | 167487-83-4 |
| Molecular Weight (g/mol) | 190.20 |
| MDL Number | MFCD18251681,MFCD20692524 |
| SMILES | CCOC(=O)C1=C2N=CNC2=CC=C1 |
| Synonym | ethyl 1h-benzo d imidazole-7-carboxylate,ethyl 4-benzimidazolecarboxylate,ethyl 3h-benzo d imidazole-4-carboxylate,ethyl 1h-benzo d imidazole-4-carboxylate,1h-benzimidazole-4-carboxylic acid, ethyl ester,1h-benzimidazole-7-carboxylic acid, ethyl ester,ethyl 1h-1,3-benzodiazole-4-carboxylate,ethyl4-benzimidazolecarboxylate,1h-benzimidazole-4-carboxylicacid,ethylester,1h-benzimidazole-4-carboxylic acid ethyl ester |
| IUPAC Name | ethyl 1H-1,3-benzodiazole-4-carboxylate |
| InChI Key | BIROFVBTDWNLKU-UHFFFAOYSA-N |
| Molecular Formula | C10H10N2O2 |
Methyl formate, 97%, may cont. up to ca 3% methanol
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 |
1,3-Dimethyl-1H-pyrazole-5-carboxylic acid, 97%, Thermo Scientific™
CAS: 5744-56-9 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00159636 InChI Key: QRWZFUBHOQWUGH-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl PubChem CID: 587721 IUPAC Name: 2,5-dimethylpyrazole-3-carboxylic acid SMILES: CN1N=C(C)C=C1C(O)=O
| PubChem CID | 587721 |
|---|---|
| CAS | 5744-56-9 |
| Molecular Weight (g/mol) | 140.14 |
| MDL Number | MFCD00159636 |
| SMILES | CN1N=C(C)C=C1C(O)=O |
| Synonym | 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl |
| IUPAC Name | 2,5-dimethylpyrazole-3-carboxylic acid |
| InChI Key | QRWZFUBHOQWUGH-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
Ethyl 2-methylbutyrate, 98%
CAS: 7452-79-1 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00012217 InChI Key: HCRBXQFHJMCTLF-UHFFFAOYSA-N Synonym: ethyl 2-methylbutyrate,butanoic acid, 2-methyl-, ethyl ester,butyric acid, 2-methyl-, ethyl ester,ethyl 2-methyl butyrate,ethyl alpha-methylbutyrate,dl-2-methylbutyric acid ethyl ester,ethyl 2-methyl-butanoate,ethyl .alpha.-methylbutyrate,2-methylbutanoic acid ethyl ester,butyric acid, 2-methyl-, ethyl ester 8ci PubChem CID: 24020 IUPAC Name: ethyl 2-methylbutanoate SMILES: CCC(C)C(=O)OCC
| PubChem CID | 24020 |
|---|---|
| CAS | 7452-79-1 |
| Molecular Weight (g/mol) | 130.187 |
| MDL Number | MFCD00012217 |
| SMILES | CCC(C)C(=O)OCC |
| Synonym | ethyl 2-methylbutyrate,butanoic acid, 2-methyl-, ethyl ester,butyric acid, 2-methyl-, ethyl ester,ethyl 2-methyl butyrate,ethyl alpha-methylbutyrate,dl-2-methylbutyric acid ethyl ester,ethyl 2-methyl-butanoate,ethyl .alpha.-methylbutyrate,2-methylbutanoic acid ethyl ester,butyric acid, 2-methyl-, ethyl ester 8ci |
| IUPAC Name | ethyl 2-methylbutanoate |
| InChI Key | HCRBXQFHJMCTLF-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
1H-Indene-3-carboxylic acid, 97%
CAS: 5020-21-3 Molecular Formula: C10H8O2 Molecular Weight (g/mol): 160.172 MDL Number: MFCD00086207 InChI Key: NZSCUDBGUBVDLO-UHFFFAOYSA-N Synonym: 1h-indene-3-carboxylic acid,indene-3-carboxylic acid,3-indenecarboxylic acid PubChem CID: 84261 IUPAC Name: 3H-indene-1-carboxylic acid SMILES: C1C=C(C2=CC=CC=C21)C(=O)O
| PubChem CID | 84261 |
|---|---|
| CAS | 5020-21-3 |
| Molecular Weight (g/mol) | 160.172 |
| MDL Number | MFCD00086207 |
| SMILES | C1C=C(C2=CC=CC=C21)C(=O)O |
| Synonym | 1h-indene-3-carboxylic acid,indene-3-carboxylic acid,3-indenecarboxylic acid |
| IUPAC Name | 3H-indene-1-carboxylic acid |
| InChI Key | NZSCUDBGUBVDLO-UHFFFAOYSA-N |
| Molecular Formula | C10H8O2 |
Benzyl cyanoacetate, 97%
CAS: 14447-18-8 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00051719 InChI Key: RCUIWQWWDLZNMS-UHFFFAOYSA-N Synonym: benzyl cyanoacetate,acetic acid, cyano-, phenylmethyl ester,cyanoacetic acid benzyl ester,benzyl-cyanoacetate,acetic acid, cyano-, benzyl ester,acmc-20alph,phenylmethyl 2-cyanoacetate,cyano-acetic acid benzyl ester,benzyl ester of cyanoacetic acid PubChem CID: 560818 IUPAC Name: benzyl 2-cyanoacetate SMILES: O=C(CC#N)OCC1=CC=CC=C1
| PubChem CID | 560818 |
|---|---|
| CAS | 14447-18-8 |
| Molecular Weight (g/mol) | 175.19 |
| MDL Number | MFCD00051719 |
| SMILES | O=C(CC#N)OCC1=CC=CC=C1 |
| Synonym | benzyl cyanoacetate,acetic acid, cyano-, phenylmethyl ester,cyanoacetic acid benzyl ester,benzyl-cyanoacetate,acetic acid, cyano-, benzyl ester,acmc-20alph,phenylmethyl 2-cyanoacetate,cyano-acetic acid benzyl ester,benzyl ester of cyanoacetic acid |
| IUPAC Name | benzyl 2-cyanoacetate |
| InChI Key | RCUIWQWWDLZNMS-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
Amyl Acetate, Mixed Isomers, BAKER ANALYZED™ Reagent, J.T. Baker™
CAS: 628-63-7 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 InChI Key: PGMYKACGEOXYJE-UHFFFAOYSA-N Synonym: amyl acetate,n-amyl acetate,acetic acid, pentyl ester,n-pentyl acetate,amyl acetic ester,1-pentyl acetate,n-pentyl ethanoate,birnenoel,pent-acetate,amyl acetic ether PubChem CID: 12348 ChEBI: CHEBI:87362 IUPAC Name: pentyl acetate SMILES: CCCCCOC(=O)C
| PubChem CID | 12348 |
|---|---|
| CAS | 628-63-7 |
| Molecular Weight (g/mol) | 130.187 |
| ChEBI | CHEBI:87362 |
| SMILES | CCCCCOC(=O)C |
| Synonym | amyl acetate,n-amyl acetate,acetic acid, pentyl ester,n-pentyl acetate,amyl acetic ester,1-pentyl acetate,n-pentyl ethanoate,birnenoel,pent-acetate,amyl acetic ether |
| IUPAC Name | pentyl acetate |
| InChI Key | PGMYKACGEOXYJE-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
Cyclohexanecarboxylic acid, 98%
CAS: 98-89-5 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00001461 InChI Key: NZNMSOFKMUBTKW-UHFFFAOYSA-N Synonym: hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid PubChem CID: 7413 ChEBI: CHEBI:36096 IUPAC Name: cyclohexanecarboxylic acid SMILES: C1CCC(CC1)C(=O)O
| PubChem CID | 7413 |
|---|---|
| CAS | 98-89-5 |
| Molecular Weight (g/mol) | 128.17 |
| ChEBI | CHEBI:36096 |
| MDL Number | MFCD00001461 |
| SMILES | C1CCC(CC1)C(=O)O |
| Synonym | hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid |
| IUPAC Name | cyclohexanecarboxylic acid |
| InChI Key | NZNMSOFKMUBTKW-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
Ethyl 1-methyl-3-thien-2-yl-1H-pyrazole-5-carboxylate, 97%, Thermo Scientific™
CAS: 868755-61-7 Molecular Formula: C11H12N2O2S Molecular Weight (g/mol): 236.29 MDL Number: MFCD08060537 InChI Key: MUIUODSZPZJMMP-UHFFFAOYSA-N Synonym: ethyl 1-methyl-3-thien-2-yl-1h-pyrazole-5-carboxylate,ethyl 2-methyl-5-thiophen-2-yl pyrazole-3-carboxylate,ethyl 1-methyl-3-2-thienyl pyrazole-5-carboxylate,ethyl 1-methyl-3-thiophen-2-yl-1h-pyrazole-5-carboxylate,1h-pyrazole-5-carboxylicacid,1-methyl-3-2-thienyl-,ethyl ester,1h-pyrazole-5-carboxylicacid, 1-methyl-3-2-thienyl-, ethyl ester PubChem CID: 7537652 IUPAC Name: ethyl 2-methyl-5-thiophen-2-ylpyrazole-3-carboxylate SMILES: CCOC(=O)C1=CC(=NN1C)C1=CC=CS1
| PubChem CID | 7537652 |
|---|---|
| CAS | 868755-61-7 |
| Molecular Weight (g/mol) | 236.29 |
| MDL Number | MFCD08060537 |
| SMILES | CCOC(=O)C1=CC(=NN1C)C1=CC=CS1 |
| Synonym | ethyl 1-methyl-3-thien-2-yl-1h-pyrazole-5-carboxylate,ethyl 2-methyl-5-thiophen-2-yl pyrazole-3-carboxylate,ethyl 1-methyl-3-2-thienyl pyrazole-5-carboxylate,ethyl 1-methyl-3-thiophen-2-yl-1h-pyrazole-5-carboxylate,1h-pyrazole-5-carboxylicacid,1-methyl-3-2-thienyl-,ethyl ester,1h-pyrazole-5-carboxylicacid, 1-methyl-3-2-thienyl-, ethyl ester |
| IUPAC Name | ethyl 2-methyl-5-thiophen-2-ylpyrazole-3-carboxylate |
| InChI Key | MUIUODSZPZJMMP-UHFFFAOYSA-N |
| Molecular Formula | C11H12N2O2S |
5-Acetylvaleric acid, 96%
CAS: 3128-07-2 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00051479 InChI Key: IZOQMUVIDMLRDC-UHFFFAOYSA-N Synonym: 5-acetylvaleric acid,heptanoic acid, 6-oxo,5-aceto valeric acid,6-oxo-heptanoic acid,unii-4u902i8qzo,5-acetylvalericacid,6-oxoenanthic acid,6-ketoheptanoic acid,5-acetylpentanoic acid,# PubChem CID: 98810 IUPAC Name: 6-oxoheptanoic acid SMILES: CC(=O)CCCCC(=O)O
| PubChem CID | 98810 |
|---|---|
| CAS | 3128-07-2 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00051479 |
| SMILES | CC(=O)CCCCC(=O)O |
| Synonym | 5-acetylvaleric acid,heptanoic acid, 6-oxo,5-aceto valeric acid,6-oxo-heptanoic acid,unii-4u902i8qzo,5-acetylvalericacid,6-oxoenanthic acid,6-ketoheptanoic acid,5-acetylpentanoic acid,# |
| IUPAC Name | 6-oxoheptanoic acid |
| InChI Key | IZOQMUVIDMLRDC-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
Ethyl 5-n-propyl-1H-pyrazole-3-carboxylate, 98%
CAS: 92945-27-2 Molecular Formula: C9H14N2O2 Molecular Weight (g/mol): 182.223 MDL Number: MFCD02093950 InChI Key: SUALHSUMUQQLJP-UHFFFAOYSA-N Synonym: ethyl 3-n-propylpyrazole-5-carboxylate,ethyl 3-propyl-1h-pyrazole-5-carboxylate,ethyl 5-n-propyl-1h-pyrazole-3-carboxylate,ethyl 5-propylpyrazole-3-carboxylate,3-propyl-1h-pyrazole-5-carboxylic acid ethyl ester,5-propyl-2h-pyrazole-3-carboxylic acid ethyl ester,ethyl 5-propyl-2h-pyrazole-3-carboxylate,3-n-propylpyrazole-5-carboxylic acid ethyl ester,ethyl 3-propylpyrazole-5-carboxylate,1h-pyrazole-3-carboxylic acid, 5-propyl-, ethyl ester PubChem CID: 7365260 IUPAC Name: ethyl 5-propyl-1H-pyrazole-3-carboxylate SMILES: CCCC1=CC(=NN1)C(=O)OCC
| PubChem CID | 7365260 |
|---|---|
| CAS | 92945-27-2 |
| Molecular Weight (g/mol) | 182.223 |
| MDL Number | MFCD02093950 |
| SMILES | CCCC1=CC(=NN1)C(=O)OCC |
| Synonym | ethyl 3-n-propylpyrazole-5-carboxylate,ethyl 3-propyl-1h-pyrazole-5-carboxylate,ethyl 5-n-propyl-1h-pyrazole-3-carboxylate,ethyl 5-propylpyrazole-3-carboxylate,3-propyl-1h-pyrazole-5-carboxylic acid ethyl ester,5-propyl-2h-pyrazole-3-carboxylic acid ethyl ester,ethyl 5-propyl-2h-pyrazole-3-carboxylate,3-n-propylpyrazole-5-carboxylic acid ethyl ester,ethyl 3-propylpyrazole-5-carboxylate,1h-pyrazole-3-carboxylic acid, 5-propyl-, ethyl ester |
| IUPAC Name | ethyl 5-propyl-1H-pyrazole-3-carboxylate |
| InChI Key | SUALHSUMUQQLJP-UHFFFAOYSA-N |
| Molecular Formula | C9H14N2O2 |
Ethyl Caprylate, 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 |