Carboxylic acids and derivatives
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Hexyl Butyrate 98.0+%, TCI America™
CAS: 2639-63-6 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.27 MDL Number: MFCD00048884 InChI Key: XAPCMTMQBXLDBB-UHFFFAOYSA-N Synonym: Butyric Acid Hexyl Ester PubChem CID: 17525 ChEBI: CHEBI:87559 IUPAC Name: hexyl butanoate SMILES: CCCCCCOC(=O)CCC
| PubChem CID | 17525 |
|---|---|
| CAS | 2639-63-6 |
| Molecular Weight (g/mol) | 172.27 |
| ChEBI | CHEBI:87559 |
| MDL Number | MFCD00048884 |
| SMILES | CCCCCCOC(=O)CCC |
| Synonym | Butyric Acid Hexyl Ester |
| IUPAC Name | hexyl butanoate |
| InChI Key | XAPCMTMQBXLDBB-UHFFFAOYSA-N |
| Molecular Formula | C10H20O2 |
1-Adamantaneacetic Acid 99.0+%, TCI America™
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-(adamantan-1-yl)acetate 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-(adamantan-1-yl)acetate |
| InChI Key | AOTQGWFNFTVXNQ-UHFFFAOYSA-M |
| Molecular Formula | C12H17O2 |
trans,trans-4'-Ethylbicyclohexyl-4-carboxylic Acid 98.0+%, TCI America™
CAS: 84976-67-0 Molecular Formula: C15H26O2 Molecular Weight (g/mol): 238.371 MDL Number: MFCD05864406 InChI Key: OQIHEFMTIUJJET-UHFFFAOYSA-N Synonym: trans,trans-4′C-Ethyl-1,1′C-bicyclohexane-4-carboxylic Acid, trans-4-(trans-4-Ethylcyclohexyl)cyclohexanecarboxylic Acid PubChem CID: 11694375 IUPAC Name: 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylic acid SMILES: CCC1CCC(CC1)C2CCC(CC2)C(=O)O
| PubChem CID | 11694375 |
|---|---|
| CAS | 84976-67-0 |
| Molecular Weight (g/mol) | 238.371 |
| MDL Number | MFCD05864406 |
| SMILES | CCC1CCC(CC1)C2CCC(CC2)C(=O)O |
| Synonym | trans,trans-4′C-Ethyl-1,1′C-bicyclohexane-4-carboxylic Acid, trans-4-(trans-4-Ethylcyclohexyl)cyclohexanecarboxylic Acid |
| IUPAC Name | 4-(4-ethylcyclohexyl)cyclohexane-1-carboxylic acid |
| InChI Key | OQIHEFMTIUJJET-UHFFFAOYSA-N |
| Molecular Formula | C15H26O2 |
2-(Methylamino)isobutyric Acid Hydrate 98.0+%, TCI America™
CAS: 2566-34-9 Molecular Formula: C5H11NO2 Molecular Weight (g/mol): 117.148 MDL Number: MFCD00004191 InChI Key: DLAMVQGYEVKIRE-UHFFFAOYSA-N Synonym: 2-methylamino isobutyric acid,n,2-dimethylalanine,2-methyl-2-methylamino propanoic acid,alpha-methylamino isobutyric acid,meaib,alanine, n,2-dimethyl,n-methyl-a-aminoisobutyric acid,2-methylamino-2-methylpropionic acid,alpha-methylamino-isobutyric acid,2,n-dimethylalanine PubChem CID: 75725 IUPAC Name: 2-methyl-2-(methylamino)propanoic acid SMILES: CC(C)(C(=O)O)NC
| PubChem CID | 75725 |
|---|---|
| CAS | 2566-34-9 |
| Molecular Weight (g/mol) | 117.148 |
| MDL Number | MFCD00004191 |
| SMILES | CC(C)(C(=O)O)NC |
| Synonym | 2-methylamino isobutyric acid,n,2-dimethylalanine,2-methyl-2-methylamino propanoic acid,alpha-methylamino isobutyric acid,meaib,alanine, n,2-dimethyl,n-methyl-a-aminoisobutyric acid,2-methylamino-2-methylpropionic acid,alpha-methylamino-isobutyric acid,2,n-dimethylalanine |
| IUPAC Name | 2-methyl-2-(methylamino)propanoic acid |
| InChI Key | DLAMVQGYEVKIRE-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO2 |
Pyrrole-2-carboxylic Acid 98.0+%, TCI America™
CAS: 634-97-9 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.1 MDL Number: MFCD00005219 InChI Key: WRHZVMBBRYBTKZ-UHFFFAOYSA-N Synonym: pyrrole-2-carboxylic acid,minaline,minalin,2-pyrrolecarboxylic acid,pyrrole-2-carboxylicacid,pyrrole-2-carboxylate,2-carboxypyrrole,1h-pyrrolecarboxylic acid,9ci,pyc PubChem CID: 12473 ChEBI: CHEBI:36751 IUPAC Name: 1H-pyrrole-2-carboxylic acid SMILES: C1=CNC(=C1)C(=O)O
| PubChem CID | 12473 |
|---|---|
| CAS | 634-97-9 |
| Molecular Weight (g/mol) | 111.1 |
| ChEBI | CHEBI:36751 |
| MDL Number | MFCD00005219 |
| SMILES | C1=CNC(=C1)C(=O)O |
| Synonym | pyrrole-2-carboxylic acid,minaline,minalin,2-pyrrolecarboxylic acid,pyrrole-2-carboxylicacid,pyrrole-2-carboxylate,2-carboxypyrrole,1h-pyrrolecarboxylic acid,9ci,pyc |
| IUPAC Name | 1H-pyrrole-2-carboxylic acid |
| InChI Key | WRHZVMBBRYBTKZ-UHFFFAOYSA-N |
| Molecular Formula | C5H5NO2 |
3-(3-Pyridyl)acrylic Acid 98.0+%, TCI America™
CAS: 1126-74-5 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00006410 InChI Key: VUVORVXMOLQFMO-ONEGZZNKSA-N Synonym: 3-3-pyridyl acrylic acid,trans-3-3-pyridyl acrylic acid,e-3-pyridin-3-yl acrylic acid,3-pyridylacrylic acid,2e-3-pyridin-3-ylacrylic acid,2e-3-pyridin-3-yl prop-2-enoic acid,3-pyridin-3-yl acrylic acid,trans-3-3'-pyridyl acrylic acid,3-3-pyridinyl acrylic acid,3-pyridinyl-acrylic acid PubChem CID: 776396 IUPAC Name: (E)-3-pyridin-3-ylprop-2-enoic acid SMILES: C1=CC(=CN=C1)C=CC(=O)O
| PubChem CID | 776396 |
|---|---|
| CAS | 1126-74-5 |
| Molecular Weight (g/mol) | 149.149 |
| MDL Number | MFCD00006410 |
| SMILES | C1=CC(=CN=C1)C=CC(=O)O |
| Synonym | 3-3-pyridyl acrylic acid,trans-3-3-pyridyl acrylic acid,e-3-pyridin-3-yl acrylic acid,3-pyridylacrylic acid,2e-3-pyridin-3-ylacrylic acid,2e-3-pyridin-3-yl prop-2-enoic acid,3-pyridin-3-yl acrylic acid,trans-3-3'-pyridyl acrylic acid,3-3-pyridinyl acrylic acid,3-pyridinyl-acrylic acid |
| IUPAC Name | (E)-3-pyridin-3-ylprop-2-enoic acid |
| InChI Key | VUVORVXMOLQFMO-ONEGZZNKSA-N |
| Molecular Formula | C8H7NO2 |
Hexyl Formate 98.0+%, TCI America™
CAS: 629-33-4 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00046146 InChI Key: OUGPMNMLWKSBRI-UHFFFAOYSA-N Synonym: n-hexyl formate,formic acid, hexyl ester,n-hexyl methanoate,hexyl methanoate,formic acid hexyl ester,hexyl formiate,unii-9gpu7pgv1g,fema no. 2570,9gpu7pgv1g,hexylformate PubChem CID: 61177 IUPAC Name: hexyl formate SMILES: CCCCCCOC=O
| PubChem CID | 61177 |
|---|---|
| CAS | 629-33-4 |
| Molecular Weight (g/mol) | 130.187 |
| MDL Number | MFCD00046146 |
| SMILES | CCCCCCOC=O |
| Synonym | n-hexyl formate,formic acid, hexyl ester,n-hexyl methanoate,hexyl methanoate,formic acid hexyl ester,hexyl formiate,unii-9gpu7pgv1g,fema no. 2570,9gpu7pgv1g,hexylformate |
| IUPAC Name | hexyl formate |
| InChI Key | OUGPMNMLWKSBRI-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
2-Naphthyl Myristate 97.0+%, TCI America™
CAS: 7262-80-8 Molecular Formula: C24H34O2 Molecular Weight (g/mol): 354.534 MDL Number: MFCD00037748 InChI Key: SKRXBZIJSNMVFA-UHFFFAOYSA-N Synonym: Myristic Acid 2-Naphthyl Ester PubChem CID: 81684 IUPAC Name: naphthalen-2-yl tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)OC1=CC2=CC=CC=C2C=C1
| PubChem CID | 81684 |
|---|---|
| CAS | 7262-80-8 |
| Molecular Weight (g/mol) | 354.534 |
| MDL Number | MFCD00037748 |
| SMILES | CCCCCCCCCCCCCC(=O)OC1=CC2=CC=CC=C2C=C1 |
| Synonym | Myristic Acid 2-Naphthyl Ester |
| IUPAC Name | naphthalen-2-yl tetradecanoate |
| InChI Key | SKRXBZIJSNMVFA-UHFFFAOYSA-N |
| Molecular Formula | C24H34O2 |
Butyl Propionate 99.0+%, TCI America™
CAS: 590-01-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00009448 InChI Key: BTMVHUNTONAYDX-UHFFFAOYSA-N Synonym: butyl propionate,n-butyl propionate,propanoic acid, butyl ester,n-butyl propanoate,propionic acid, butyl ester,propionic acid butyl ester,unii-2nxc4ak99e,butyl propionate natural,fema no. 2211,n-butyl n-propionate PubChem CID: 11529 IUPAC Name: butyl propanoate SMILES: CCCCOC(=O)CC
| PubChem CID | 11529 |
|---|---|
| CAS | 590-01-2 |
| Molecular Weight (g/mol) | 130.187 |
| MDL Number | MFCD00009448 |
| SMILES | CCCCOC(=O)CC |
| Synonym | butyl propionate,n-butyl propionate,propanoic acid, butyl ester,n-butyl propanoate,propionic acid, butyl ester,propionic acid butyl ester,unii-2nxc4ak99e,butyl propionate natural,fema no. 2211,n-butyl n-propionate |
| IUPAC Name | butyl propanoate |
| InChI Key | BTMVHUNTONAYDX-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
4-Phenylbutyric Acid 98.0+%, TCI America™
CAS: 1821-12-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00004403 InChI Key: OBKXEAXTFZPCHS-UHFFFAOYSA-N Synonym: 4-phenylbutyric acid,benzenebutanoic acid,benzenebutyric acid,phenylbutyrate,gamma-phenylbutyric acid,omega-phenylbutanoic acid,phenylbutyric acid,4-phenylbutyrate,butyric acid, 4-phenyl,4-phenyl-n-butyric acid PubChem CID: 4775 ChEBI: CHEBI:41500 IUPAC Name: 4-phenylbutanoic acid SMILES: C1=CC=C(C=C1)CCCC(=O)O
| PubChem CID | 4775 |
|---|---|
| CAS | 1821-12-1 |
| Molecular Weight (g/mol) | 164.204 |
| ChEBI | CHEBI:41500 |
| MDL Number | MFCD00004403 |
| SMILES | C1=CC=C(C=C1)CCCC(=O)O |
| Synonym | 4-phenylbutyric acid,benzenebutanoic acid,benzenebutyric acid,phenylbutyrate,gamma-phenylbutyric acid,omega-phenylbutanoic acid,phenylbutyric acid,4-phenylbutyrate,butyric acid, 4-phenyl,4-phenyl-n-butyric acid |
| IUPAC Name | 4-phenylbutanoic acid |
| InChI Key | OBKXEAXTFZPCHS-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Ethyl 10-Undecenoate 97.0+%, TCI America™
CAS: 692-86-4 Molecular Formula: C13H24O2 Molecular Weight (g/mol): 212.333 MDL Number: MFCD00009220 InChI Key: FXNFFCMITPHEIT-UHFFFAOYSA-N Synonym: 10-Undecenoic Acid Ethyl Ester PubChem CID: 12729 IUPAC Name: ethyl undec-10-enoate SMILES: CCOC(=O)CCCCCCCCC=C
| PubChem CID | 12729 |
|---|---|
| CAS | 692-86-4 |
| Molecular Weight (g/mol) | 212.333 |
| MDL Number | MFCD00009220 |
| SMILES | CCOC(=O)CCCCCCCCC=C |
| Synonym | 10-Undecenoic Acid Ethyl Ester |
| IUPAC Name | ethyl undec-10-enoate |
| InChI Key | FXNFFCMITPHEIT-UHFFFAOYSA-N |
| Molecular Formula | C13H24O2 |
Ethyl Cyanoacetate 99.0+%, TCI America™
CAS: 105-56-6 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.12 MDL Number: MFCD00001940 InChI Key: ZIUSEGSNTOUIPT-UHFFFAOYSA-N Synonym: ethyl cyanoacetate,ethyl cyanacetate,cyanoacetic acid ethyl ester,acetic acid, cyano-, ethyl ester,ethyl cyanoethanoate,cyanoacetic ester,cyanacetate ethyle,usaf kf-25,estere cianoacetico,ethyl cyano acetate PubChem CID: 7764 IUPAC Name: ethyl 2-cyanoacetate SMILES: CCOC(=O)CC#N
| PubChem CID | 7764 |
|---|---|
| CAS | 105-56-6 |
| Molecular Weight (g/mol) | 113.12 |
| MDL Number | MFCD00001940 |
| SMILES | CCOC(=O)CC#N |
| Synonym | ethyl cyanoacetate,ethyl cyanacetate,cyanoacetic acid ethyl ester,acetic acid, cyano-, ethyl ester,ethyl cyanoethanoate,cyanoacetic ester,cyanacetate ethyle,usaf kf-25,estere cianoacetico,ethyl cyano acetate |
| IUPAC Name | ethyl 2-cyanoacetate |
| InChI Key | ZIUSEGSNTOUIPT-UHFFFAOYSA-N |
| Molecular Formula | C5H7NO2 |
Ethyl 4-Aminophenylacetate 98.0+%, TCI America™
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 |
3-(Dodecylthio)propionic Acid 90.0+%, TCI America™
CAS: 1462-52-8 Molecular Formula: C15H30O2S Molecular Weight (g/mol): 274.463 InChI Key: VKLOPQHLJNFYKK-UHFFFAOYSA-N Synonym: 3-(Laurylthio)propionic Acid PubChem CID: 73834 IUPAC Name: 3-dodecylsulfanylpropanoic acid SMILES: CCCCCCCCCCCCSCCC(=O)O
| PubChem CID | 73834 |
|---|---|
| CAS | 1462-52-8 |
| Molecular Weight (g/mol) | 274.463 |
| SMILES | CCCCCCCCCCCCSCCC(=O)O |
| Synonym | 3-(Laurylthio)propionic Acid |
| IUPAC Name | 3-dodecylsulfanylpropanoic acid |
| InChI Key | VKLOPQHLJNFYKK-UHFFFAOYSA-N |
| Molecular Formula | C15H30O2S |
3-(3-Nitrophenyl)propionic Acid 98.0+%, TCI America™
CAS: 1664-57-9 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.174 MDL Number: MFCD01310835 InChI Key: ZOANOABZUNJOJT-UHFFFAOYSA-N Synonym: 3-Nitrohydrocinnamic Acid PubChem CID: 2760224 SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])CCC(=O)O
| PubChem CID | 2760224 |
|---|---|
| CAS | 1664-57-9 |
| Molecular Weight (g/mol) | 195.174 |
| MDL Number | MFCD01310835 |
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])CCC(=O)O |
| Synonym | 3-Nitrohydrocinnamic Acid |
| InChI Key | ZOANOABZUNJOJT-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |