Organic acids and derivatives
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sec-Butyl Acetate 98.0+%, TCI America™
CAS: 105-46-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009328 InChI Key: DCKVNWZUADLDEH-UHFFFAOYNA-N Synonym: sec-butyl acetate,dl-sec-butyl acetate,2-butyl acetate,acetic acid, 1-methylpropyl ester,1-methylpropyl acetate,sec-butyl ethanoate,1-methylpropyl ethanoate,acetic acid, sec-butyl ester,2-butanol acetate,sec-butyl alcohol acetate PubChem CID: 7758 IUPAC Name: butan-2-yl acetate SMILES: CCC(C)OC(C)=O
| PubChem CID | 7758 |
|---|---|
| CAS | 105-46-4 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00009328 |
| SMILES | CCC(C)OC(C)=O |
| Synonym | sec-butyl acetate,dl-sec-butyl acetate,2-butyl acetate,acetic acid, 1-methylpropyl ester,1-methylpropyl acetate,sec-butyl ethanoate,1-methylpropyl ethanoate,acetic acid, sec-butyl ester,2-butanol acetate,sec-butyl alcohol acetate |
| IUPAC Name | butan-2-yl acetate |
| InChI Key | DCKVNWZUADLDEH-UHFFFAOYNA-N |
| Molecular Formula | C6H12O2 |
3-Phenylpropyl Isobutyrate 98.0+%, TCI America™
CAS: 103-58-2 Molecular Formula: C13H18O2 Molecular Weight (g/mol): 206.285 MDL Number: MFCD00082227 InChI Key: VBTAKMZSMFMLGT-UHFFFAOYSA-N Synonym: Isobutyric Acid 3-Phenylpropyl Ester PubChem CID: 7662 IUPAC Name: 3-phenylpropyl 2-methylpropanoate SMILES: CC(C)C(=O)OCCCC1=CC=CC=C1
| PubChem CID | 7662 |
|---|---|
| CAS | 103-58-2 |
| Molecular Weight (g/mol) | 206.285 |
| MDL Number | MFCD00082227 |
| SMILES | CC(C)C(=O)OCCCC1=CC=CC=C1 |
| Synonym | Isobutyric Acid 3-Phenylpropyl Ester |
| IUPAC Name | 3-phenylpropyl 2-methylpropanoate |
| InChI Key | VBTAKMZSMFMLGT-UHFFFAOYSA-N |
| Molecular Formula | C13H18O2 |
Cesium Acetate 98.0+%, TCI America™
CAS: 3396-11-0 Molecular Formula: C2H3CsO2 Molecular Weight (g/mol): 191.949 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) | 191.949 |
| 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 |
Ethyl Nonanoate 95.0+%, TCI America™
CAS: 123-29-5 Molecular Formula: C11H22O2 Molecular Weight (g/mol): 186.30 MDL Number: MFCD00009570 InChI Key: BYEVBITUADOIGY-UHFFFAOYSA-N Synonym: ethyl pelargonate,nonanoic acid, ethyl ester,ethyl nonylate,wine ether,nonanoic acid ethyl ester,natural,ethyl n-nonanoate,unii-ksh683s98j,fema no. 2447,pelargonic acid ethyl ester PubChem CID: 31251 ChEBI: CHEBI:87501 IUPAC Name: ethyl nonanoate SMILES: CCCCCCCCC(=O)OCC
| PubChem CID | 31251 |
|---|---|
| CAS | 123-29-5 |
| Molecular Weight (g/mol) | 186.30 |
| ChEBI | CHEBI:87501 |
| MDL Number | MFCD00009570 |
| SMILES | CCCCCCCCC(=O)OCC |
| Synonym | ethyl pelargonate,nonanoic acid, ethyl ester,ethyl nonylate,wine ether,nonanoic acid ethyl ester,natural,ethyl n-nonanoate,unii-ksh683s98j,fema no. 2447,pelargonic acid ethyl ester |
| IUPAC Name | ethyl nonanoate |
| InChI Key | BYEVBITUADOIGY-UHFFFAOYSA-N |
| Molecular Formula | C11H22O2 |
Cyclohexyl Butyrate 98.0+%, TCI America™
CAS: 1551-44-6 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.252 MDL Number: MFCD00046354 InChI Key: VZHUBBUZNIULNM-UHFFFAOYSA-N Synonym: cyclohexyl butyrate,butanoic acid, cyclohexyl ester,cyclohexanyl butyrate,butyric acid, cyclohexyl ester,cyclohexyl n-butyrate,unii-fhh53z3i16,fema no. 2351,ccris 6553,cyclohexanol butanoate,cyclohexyl-n-butyrate PubChem CID: 243783 IUPAC Name: cyclohexyl butanoate SMILES: CCCC(=O)OC1CCCCC1
| PubChem CID | 243783 |
|---|---|
| CAS | 1551-44-6 |
| Molecular Weight (g/mol) | 170.252 |
| MDL Number | MFCD00046354 |
| SMILES | CCCC(=O)OC1CCCCC1 |
| Synonym | cyclohexyl butyrate,butanoic acid, cyclohexyl ester,cyclohexanyl butyrate,butyric acid, cyclohexyl ester,cyclohexyl n-butyrate,unii-fhh53z3i16,fema no. 2351,ccris 6553,cyclohexanol butanoate,cyclohexyl-n-butyrate |
| IUPAC Name | cyclohexyl butanoate |
| InChI Key | VZHUBBUZNIULNM-UHFFFAOYSA-N |
| Molecular Formula | C10H18O2 |
Ethyl Cyclohexylacetate 98.0+%, TCI America™
CAS: 5452-75-5 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.25 MDL Number: MFCD00001517 InChI Key: ZBDAMDWKXGTKBT-UHFFFAOYSA-N Synonym: ethyl cyclohexylacetate,ethyl cyclohexaneacetate,cyclohexaneacetic acid, ethyl ester,ethyl-2-cyclohexylacetate,ethylcyclohexylacetate,unii-v36o028g9r,cyclohexylacetic acid ethyl ester,cyclohexaneacetic acid ethyl ester,cyclohexyl acetic acid ethyl ester,pubchem20245 PubChem CID: 21595 IUPAC Name: ethyl 2-cyclohexylacetate SMILES: CCOC(=O)CC1CCCCC1
| PubChem CID | 21595 |
|---|---|
| CAS | 5452-75-5 |
| Molecular Weight (g/mol) | 170.25 |
| MDL Number | MFCD00001517 |
| SMILES | CCOC(=O)CC1CCCCC1 |
| Synonym | ethyl cyclohexylacetate,ethyl cyclohexaneacetate,cyclohexaneacetic acid, ethyl ester,ethyl-2-cyclohexylacetate,ethylcyclohexylacetate,unii-v36o028g9r,cyclohexylacetic acid ethyl ester,cyclohexaneacetic acid ethyl ester,cyclohexyl acetic acid ethyl ester,pubchem20245 |
| IUPAC Name | ethyl 2-cyclohexylacetate |
| InChI Key | ZBDAMDWKXGTKBT-UHFFFAOYSA-N |
| Molecular Formula | C10H18O2 |
Cyclopentylacetic Acid 98.0+%, TCI America™
CAS: 1123-00-8 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00001387 InChI Key: YVHAIVPPUIZFBA-UHFFFAOYSA-N Synonym: cyclopentylacetic acid,cyclopentaneacetic acid,cycylopentylacetic acid,carboxymethyl cyclopentane,cyclopentyl acetic acid,cyclopentyacetic acid,cyclopentanacetic acid,cyclopentyl-acetic acid,2-cyclopentylaceticacid,cyclopentane acetic acid PubChem CID: 71606 IUPAC Name: 2-cyclopentylacetic acid SMILES: OC(=O)CC1CCCC1
| PubChem CID | 71606 |
|---|---|
| CAS | 1123-00-8 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00001387 |
| SMILES | OC(=O)CC1CCCC1 |
| Synonym | cyclopentylacetic acid,cyclopentaneacetic acid,cycylopentylacetic acid,carboxymethyl cyclopentane,cyclopentyl acetic acid,cyclopentyacetic acid,cyclopentanacetic acid,cyclopentyl-acetic acid,2-cyclopentylaceticacid,cyclopentane acetic acid |
| IUPAC Name | 2-cyclopentylacetic acid |
| InChI Key | YVHAIVPPUIZFBA-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
Isopropyl Linoleate 60.0+%, TCI America™
CAS: 22882-95-7 Molecular Formula: C21H38O2 Molecular Weight (g/mol): 322.533 MDL Number: MFCD00053809 InChI Key: XEIOPEQGDSYOIH-MVKOLZDDSA-N Synonym: Linoleic Acid Isopropyl Ester PubChem CID: 13647303 IUPAC Name: propan-2-yl (9E,12E)-octadeca-9,12-dienoate SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OC(C)C
| PubChem CID | 13647303 |
|---|---|
| CAS | 22882-95-7 |
| Molecular Weight (g/mol) | 322.533 |
| MDL Number | MFCD00053809 |
| SMILES | CCCCCC=CCC=CCCCCCCCC(=O)OC(C)C |
| Synonym | Linoleic Acid Isopropyl Ester |
| IUPAC Name | propan-2-yl (9E,12E)-octadeca-9,12-dienoate |
| InChI Key | XEIOPEQGDSYOIH-MVKOLZDDSA-N |
| Molecular Formula | C21H38O2 |
4-Isobutylcyclohexanecarboxylic Acid (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 38792-88-0 Molecular Formula: C11H20O2 Molecular Weight (g/mol): 184.279 InChI Key: NFJJRCCYQXONBL-UHFFFAOYSA-N PubChem CID: 217396 IUPAC Name: 4-(2-methylpropyl)cyclohexane-1-carboxylic acid SMILES: CC(C)CC1CCC(CC1)C(=O)O
| PubChem CID | 217396 |
|---|---|
| CAS | 38792-88-0 |
| Molecular Weight (g/mol) | 184.279 |
| SMILES | CC(C)CC1CCC(CC1)C(=O)O |
| IUPAC Name | 4-(2-methylpropyl)cyclohexane-1-carboxylic acid |
| InChI Key | NFJJRCCYQXONBL-UHFFFAOYSA-N |
| Molecular Formula | C11H20O2 |
6-Heptenyl Acetate 97.0+%, TCI America™
CAS: 5048-30-6 Molecular Formula: C9H16O2 Molecular Weight (g/mol): 156.23 MDL Number: MFCD00191656 InChI Key: GNEUVQRNOYJQLS-UHFFFAOYSA-N Synonym: 7-Acetoxy-1-heptene, Acetic Acid 6-Heptenyl Ester PubChem CID: 537537 IUPAC Name: hept-6-en-1-yl acetate SMILES: CC(=O)OCCCCCC=C
| PubChem CID | 537537 |
|---|---|
| CAS | 5048-30-6 |
| Molecular Weight (g/mol) | 156.23 |
| MDL Number | MFCD00191656 |
| SMILES | CC(=O)OCCCCCC=C |
| Synonym | 7-Acetoxy-1-heptene, Acetic Acid 6-Heptenyl Ester |
| IUPAC Name | hept-6-en-1-yl acetate |
| InChI Key | GNEUVQRNOYJQLS-UHFFFAOYSA-N |
| Molecular Formula | C9H16O2 |
3-Acetoxypyridine 98.0+%, TCI America™
CAS: 17747-43-2 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00006377 InChI Key: QZDWODWEESGPLC-UHFFFAOYSA-N Synonym: 3-Pyridyl Acetate PubChem CID: 87289 IUPAC Name: pyridin-3-yl acetate SMILES: CC(=O)OC1=CC=CN=C1
| PubChem CID | 87289 |
|---|---|
| CAS | 17747-43-2 |
| Molecular Weight (g/mol) | 137.14 |
| MDL Number | MFCD00006377 |
| SMILES | CC(=O)OC1=CC=CN=C1 |
| Synonym | 3-Pyridyl Acetate |
| IUPAC Name | pyridin-3-yl acetate |
| InChI Key | QZDWODWEESGPLC-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
Ethyl 4-Methyl-2-pyrrolecarboxylate 97.0+%, TCI America™
CAS: 40611-85-6 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.18 MDL Number: MFCD00191668 InChI Key: RWFKYBVNHRKZSN-UHFFFAOYSA-N Synonym: 4-Methyl-2-pyrrolecarboxylic Acid Ethyl Ester PubChem CID: 643361 IUPAC Name: ethyl 4-methyl-1H-pyrrole-2-carboxylate SMILES: CCOC(=O)C1=CC(C)=CN1
| PubChem CID | 643361 |
|---|---|
| CAS | 40611-85-6 |
| Molecular Weight (g/mol) | 153.18 |
| MDL Number | MFCD00191668 |
| SMILES | CCOC(=O)C1=CC(C)=CN1 |
| Synonym | 4-Methyl-2-pyrrolecarboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 4-methyl-1H-pyrrole-2-carboxylate |
| InChI Key | RWFKYBVNHRKZSN-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2 |
3,4-Diethyl-2-ethoxycarbonyl-5-methylpyrrole 96.0+%, TCI America™
CAS: 16200-50-3 Molecular Formula: C12H19NO2 Molecular Weight (g/mol): 209.289 MDL Number: MFCD00075089 InChI Key: YXAABSBFWADBRO-UHFFFAOYSA-N Synonym: 3,4-Diethyl-5-methyl-2-pyrrolecarboxylic Acid Ethyl Ester, Ethyl 3,4-Diethyl-5-methyl-2-pyrrolecarboxylate PubChem CID: 590710 IUPAC Name: ethyl 3,4-diethyl-5-methyl-1H-pyrrole-2-carboxylate SMILES: CCC1=C(NC(=C1CC)C(=O)OCC)C
| PubChem CID | 590710 |
|---|---|
| CAS | 16200-50-3 |
| Molecular Weight (g/mol) | 209.289 |
| MDL Number | MFCD00075089 |
| SMILES | CCC1=C(NC(=C1CC)C(=O)OCC)C |
| Synonym | 3,4-Diethyl-5-methyl-2-pyrrolecarboxylic Acid Ethyl Ester, Ethyl 3,4-Diethyl-5-methyl-2-pyrrolecarboxylate |
| IUPAC Name | ethyl 3,4-diethyl-5-methyl-1H-pyrrole-2-carboxylate |
| InChI Key | YXAABSBFWADBRO-UHFFFAOYSA-N |
| Molecular Formula | C12H19NO2 |
Trichloroacetic Anhydride 97.0+%, TCI America™
CAS: 4124-31-6 Molecular Formula: C4Cl6O3 Molecular Weight (g/mol): 308.741 MDL Number: MFCD00000793 InChI Key: MEFKFJOEVLUFAY-UHFFFAOYSA-N Synonym: trichloroacetic anhydride,acetic acid, trichloro-, anhydride,acetic acid, 2,2,2-trichloro-, 1,1'-anhydride,acmc-1aliy,perchloroacetic anhydride,bis trichloroacetic anhydride,trichloroacetic acid anhydride,2,2,2-trichloroacetic anhydride,trichloroacetyl 2,2,2-trichloroacetate PubChem CID: 20079 IUPAC Name: (2,2,2-trichloroacetyl) 2,2,2-trichloroacetate SMILES: C(=O)(C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl
| PubChem CID | 20079 |
|---|---|
| CAS | 4124-31-6 |
| Molecular Weight (g/mol) | 308.741 |
| MDL Number | MFCD00000793 |
| SMILES | C(=O)(C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl |
| Synonym | trichloroacetic anhydride,acetic acid, trichloro-, anhydride,acetic acid, 2,2,2-trichloro-, 1,1'-anhydride,acmc-1aliy,perchloroacetic anhydride,bis trichloroacetic anhydride,trichloroacetic acid anhydride,2,2,2-trichloroacetic anhydride,trichloroacetyl 2,2,2-trichloroacetate |
| IUPAC Name | (2,2,2-trichloroacetyl) 2,2,2-trichloroacetate |
| InChI Key | MEFKFJOEVLUFAY-UHFFFAOYSA-N |
| Molecular Formula | C4Cl6O3 |
Ethyl p-Tolylacetate 98.0+%, TCI America™
CAS: 14062-19-2 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00009181 InChI Key: BTRGZBIXPLFVNK-UHFFFAOYSA-N Synonym: ethyl p-tolylacetate,ethyl 4-methylphenylacetate,ethyl 2-4-methylphenyl acetate,ethyl 2-p-tolyl acetate,ethyl-p-tolylacetate,p-tolylacetic acid ethyl ester,ethyl-4-tolylacetate,ethyl p-methylphenylacetate,ethyl 4-methylphenyl acetate,4-methylphenylacetic acid ethyl ester PubChem CID: 84175 IUPAC Name: ethyl 2-(4-methylphenyl)acetate SMILES: CCOC(=O)CC1=CC=C(C=C1)C
| PubChem CID | 84175 |
|---|---|
| CAS | 14062-19-2 |
| Molecular Weight (g/mol) | 178.231 |
| MDL Number | MFCD00009181 |
| SMILES | CCOC(=O)CC1=CC=C(C=C1)C |
| Synonym | ethyl p-tolylacetate,ethyl 4-methylphenylacetate,ethyl 2-4-methylphenyl acetate,ethyl 2-p-tolyl acetate,ethyl-p-tolylacetate,p-tolylacetic acid ethyl ester,ethyl-4-tolylacetate,ethyl p-methylphenylacetate,ethyl 4-methylphenyl acetate,4-methylphenylacetic acid ethyl ester |
| IUPAC Name | ethyl 2-(4-methylphenyl)acetate |
| InChI Key | BTRGZBIXPLFVNK-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |