Organic acids and derivatives
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1-Adamantanecarboxylic Acid 98.0+%, TCI America™
CAS: 828-51-3 Molecular Formula: C11H16O2 Molecular Weight (g/mol): 180.247 MDL Number: MFCD00074720 InChI Key: JIMXXGFJRDUSRO-UHFFFAOYSA-N Synonym: 1-adamantanecarboxylic acid,1-carboxyadamantane,adamantanecarboxylic acid,adamantoic acid,1-adamantoic acid,3-adamantanecarboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylic acid,tricyclo 3.3.1.1'3,7 decane-1-carboxylic acid,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3r,5s,7s-adamantane-1-carboxylic acid PubChem CID: 13235 IUPAC Name: adamantane-1-carboxylic acid SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)O
| PubChem CID | 13235 |
|---|---|
| CAS | 828-51-3 |
| Molecular Weight (g/mol) | 180.247 |
| MDL Number | MFCD00074720 |
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)O |
| Synonym | 1-adamantanecarboxylic acid,1-carboxyadamantane,adamantanecarboxylic acid,adamantoic acid,1-adamantoic acid,3-adamantanecarboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylic acid,tricyclo 3.3.1.1'3,7 decane-1-carboxylic acid,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3r,5s,7s-adamantane-1-carboxylic acid |
| IUPAC Name | adamantane-1-carboxylic acid |
| InChI Key | JIMXXGFJRDUSRO-UHFFFAOYSA-N |
| Molecular Formula | C11H16O2 |
n-Octyl Thioglycolate 95.0+%, TCI America™
CAS: 7664-80-4 Molecular Formula: C10H20O2S Molecular Weight (g/mol): 204.328 MDL Number: MFCD00053518 InChI Key: MADOXCFISYCULS-UHFFFAOYSA-N Synonym: Mercaptoacetic Acid n-Octyl Ester, n-Octyl Mercaptoacetate, Thioglycolic Acid n-Octyl Ester PubChem CID: 76023 IUPAC Name: octyl 2-sulfanylacetate SMILES: CCCCCCCCOC(=O)CS
| PubChem CID | 76023 |
|---|---|
| CAS | 7664-80-4 |
| Molecular Weight (g/mol) | 204.328 |
| MDL Number | MFCD00053518 |
| SMILES | CCCCCCCCOC(=O)CS |
| Synonym | Mercaptoacetic Acid n-Octyl Ester, n-Octyl Mercaptoacetate, Thioglycolic Acid n-Octyl Ester |
| IUPAC Name | octyl 2-sulfanylacetate |
| InChI Key | MADOXCFISYCULS-UHFFFAOYSA-N |
| Molecular Formula | C10H20O2S |
Ethyl 4-Pyridylacetate 98.0+%, TCI America™
CAS: 54401-85-3 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00051830 InChI Key: QVLJLWHOILVHJJ-UHFFFAOYSA-N Synonym: ethyl 4-pyridylacetate,ethyl 2-pyridin-4-yl acetate,ethyl pyridine-4-acetate,ethyl pyridin-4-ylacetate,4-pyridineacetic acid ethyl ester,4-pyridineacetic acid, ethyl ester,ethyl 2-4-pyridyl acetate,4-pyridylacetic acid ethyl ester,ethyl 4-pyridineacetate,ethyl-4-pyridylacetate PubChem CID: 736321 IUPAC Name: ethyl 2-pyridin-4-ylacetate SMILES: CCOC(=O)CC1=CC=NC=C1
| PubChem CID | 736321 |
|---|---|
| CAS | 54401-85-3 |
| Molecular Weight (g/mol) | 165.192 |
| MDL Number | MFCD00051830 |
| SMILES | CCOC(=O)CC1=CC=NC=C1 |
| Synonym | ethyl 4-pyridylacetate,ethyl 2-pyridin-4-yl acetate,ethyl pyridine-4-acetate,ethyl pyridin-4-ylacetate,4-pyridineacetic acid ethyl ester,4-pyridineacetic acid, ethyl ester,ethyl 2-4-pyridyl acetate,4-pyridylacetic acid ethyl ester,ethyl 4-pyridineacetate,ethyl-4-pyridylacetate |
| IUPAC Name | ethyl 2-pyridin-4-ylacetate |
| InChI Key | QVLJLWHOILVHJJ-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
cis-3-Hexenyl Isobutyrate 95.0+%, TCI America™
CAS: 41519-23-7 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.252 MDL Number: MFCD00036529 InChI Key: OSMAJVWUIUORGC-WAYWQWQTSA-N Synonym: Isobutyric Acid cis-3-Hexenyl Ester PubChem CID: 5352539 IUPAC Name: [(Z)-hex-3-enyl] 2-methylpropanoate SMILES: CCC=CCCOC(=O)C(C)C
| PubChem CID | 5352539 |
|---|---|
| CAS | 41519-23-7 |
| Molecular Weight (g/mol) | 170.252 |
| MDL Number | MFCD00036529 |
| SMILES | CCC=CCCOC(=O)C(C)C |
| Synonym | Isobutyric Acid cis-3-Hexenyl Ester |
| IUPAC Name | [(Z)-hex-3-enyl] 2-methylpropanoate |
| InChI Key | OSMAJVWUIUORGC-WAYWQWQTSA-N |
| Molecular Formula | C10H18O2 |
trans-4-Pentylcyclohexanecarboxylic Acid 99.0+%, TCI America™
CAS: 38289-29-1 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.306 MDL Number: MFCD00009964 InChI Key: RVLAXPQGTRTHEV-UHFFFAOYSA-N Synonym: trans-4-pentylcyclohexanecarboxylic acid,4-pentylcyclohexanecarboxylic acid,trans-4-n-pentylcyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-pentyl,trans-4-amylcyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-pentyl-, trans,4-n-pentylcyclohexane carboxylic acid,4-amylcyclohexanecarboxylic acid,rvlaxpqgtrthev-xypyzodxsa-n,1s,4r-4-pentylcyclohexane-1-carboxylic acid PubChem CID: 98882 IUPAC Name: 4-pentylcyclohexane-1-carboxylic acid SMILES: CCCCCC1CCC(CC1)C(=O)O
| PubChem CID | 98882 |
|---|---|
| CAS | 38289-29-1 |
| Molecular Weight (g/mol) | 198.306 |
| MDL Number | MFCD00009964 |
| SMILES | CCCCCC1CCC(CC1)C(=O)O |
| Synonym | trans-4-pentylcyclohexanecarboxylic acid,4-pentylcyclohexanecarboxylic acid,trans-4-n-pentylcyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-pentyl,trans-4-amylcyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-pentyl-, trans,4-n-pentylcyclohexane carboxylic acid,4-amylcyclohexanecarboxylic acid,rvlaxpqgtrthev-xypyzodxsa-n,1s,4r-4-pentylcyclohexane-1-carboxylic acid |
| IUPAC Name | 4-pentylcyclohexane-1-carboxylic acid |
| InChI Key | RVLAXPQGTRTHEV-UHFFFAOYSA-N |
| Molecular Formula | C12H22O2 |
Isobutyl Isobutyrate 98.0+%, TCI America™
CAS: 97-85-8 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00008916 InChI Key: RXGUIWHIADMCFC-UHFFFAOYSA-N Synonym: isobutyl isobutyrate,isobutyl 2-methylpropanoate,isobutyl isobutanoate,isobutyric acid, isobutyl ester,propanoic acid, 2-methyl-, 2-methylpropyl ester,2-methylpropyl 2-methylpropionate,2-methylpropyl isobutyrate,isobutylester kyseliny isomaselne,fema number 2189,2-methyl-1-propyl 2-methylpropanoate PubChem CID: 7351 IUPAC Name: 2-methylpropyl 2-methylpropanoate SMILES: CC(C)COC(=O)C(C)C
| PubChem CID | 7351 |
|---|---|
| CAS | 97-85-8 |
| Molecular Weight (g/mol) | 144.21 |
| MDL Number | MFCD00008916 |
| SMILES | CC(C)COC(=O)C(C)C |
| Synonym | isobutyl isobutyrate,isobutyl 2-methylpropanoate,isobutyl isobutanoate,isobutyric acid, isobutyl ester,propanoic acid, 2-methyl-, 2-methylpropyl ester,2-methylpropyl 2-methylpropionate,2-methylpropyl isobutyrate,isobutylester kyseliny isomaselne,fema number 2189,2-methyl-1-propyl 2-methylpropanoate |
| IUPAC Name | 2-methylpropyl 2-methylpropanoate |
| InChI Key | RXGUIWHIADMCFC-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
Indoxyl Acetate 98.0+%, TCI America™
CAS: 608-08-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.187 MDL Number: MFCD00014561 InChI Key: JBOPQACSHPPKEP-UHFFFAOYSA-N Synonym: 3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester PubChem CID: 11841 IUPAC Name: 1H-indol-3-yl acetate SMILES: CC(=O)OC1=CNC2=CC=CC=C21
| PubChem CID | 11841 |
|---|---|
| CAS | 608-08-2 |
| Molecular Weight (g/mol) | 175.187 |
| MDL Number | MFCD00014561 |
| SMILES | CC(=O)OC1=CNC2=CC=CC=C21 |
| Synonym | 3-acetoxyindole,indoxyl acetate,3-indoxyl acetate,indoxyl-o-acetate,3-indolyl acetate,indole, 3-acetato,indoxylacetate,1h-indol-3-ol, 3-acetate,1h-indol-3-ol, acetate ester,acetic acid, 3-indolyl ester |
| IUPAC Name | 1H-indol-3-yl acetate |
| InChI Key | JBOPQACSHPPKEP-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
Ethyl Undecanoate 98.0+%, TCI America™
CAS: 627-90-7 Molecular Formula: C13H26O2 Molecular Weight (g/mol): 214.35 MDL Number: MFCD00008958 InChI Key: IAFQYUQIAOWKSB-UHFFFAOYSA-N Synonym: undecanoic acid, ethyl ester,ethyl undecylate,undecanoic acid ethyl ester,ethyl hendecanoate,ethyl n-undecanoate,n-undecanoic acid ethyl ester,fema no. 3492,ethyl undecanoate,acmc-1ayp4,undecanoic acid, ethylester PubChem CID: 12327 IUPAC Name: ethyl undecanoate SMILES: CCCCCCCCCCC(=O)OCC
| PubChem CID | 12327 |
|---|---|
| CAS | 627-90-7 |
| Molecular Weight (g/mol) | 214.35 |
| MDL Number | MFCD00008958 |
| SMILES | CCCCCCCCCCC(=O)OCC |
| Synonym | undecanoic acid, ethyl ester,ethyl undecylate,undecanoic acid ethyl ester,ethyl hendecanoate,ethyl n-undecanoate,n-undecanoic acid ethyl ester,fema no. 3492,ethyl undecanoate,acmc-1ayp4,undecanoic acid, ethylester |
| IUPAC Name | ethyl undecanoate |
| InChI Key | IAFQYUQIAOWKSB-UHFFFAOYSA-N |
| Molecular Formula | C13H26O2 |
alpha-Methyllevulinic Acid 98.0+%, TCI America™
CAS: 6641-83-4 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00143584 InChI Key: UZTJTTKEYGHTNM-UHFFFAOYSA-N Synonym: 2-Methyl-4-oxopentanoic Acid PubChem CID: 225902 IUPAC Name: 2-methyl-4-oxopentanoic acid SMILES: CC(CC(=O)C)C(=O)O
| PubChem CID | 225902 |
|---|---|
| CAS | 6641-83-4 |
| Molecular Weight (g/mol) | 130.143 |
| MDL Number | MFCD00143584 |
| SMILES | CC(CC(=O)C)C(=O)O |
| Synonym | 2-Methyl-4-oxopentanoic Acid |
| IUPAC Name | 2-methyl-4-oxopentanoic acid |
| InChI Key | UZTJTTKEYGHTNM-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
3-(4-Bromophenyl)propionic Acid 98.0+%, TCI America™
CAS: 1643-30-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD01310793 InChI Key: NCSTWHYWOVZDOC-UHFFFAOYSA-N Synonym: 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm PubChem CID: 2735609 IUPAC Name: 3-(4-bromophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)Br
| PubChem CID | 2735609 |
|---|---|
| CAS | 1643-30-7 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD01310793 |
| SMILES | C1=CC(=CC=C1CCC(=O)O)Br |
| Synonym | 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm |
| IUPAC Name | 3-(4-bromophenyl)propanoic acid |
| InChI Key | NCSTWHYWOVZDOC-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
Cyclopentanecarboxylic Acid 98.0+%, TCI America™
CAS: 3400-45-1 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00001371 InChI Key: JBDSSBMEKXHSJF-UHFFFAOYSA-N Synonym: cyclopentane carboxylic acid,cyclopentylcarboxylic acid,cyclopentancarboxylic acid,cyclopentanoic acid,unii-z6691vh94a,cyclopentylmethanoic acid,pubchem14153,carboxycyclopentane,cyclopentyl carboxylic acid,acmc-209i4g PubChem CID: 18840 IUPAC Name: cyclopentanecarboxylic acid SMILES: C1CCC(C1)C(=O)O
| PubChem CID | 18840 |
|---|---|
| CAS | 3400-45-1 |
| Molecular Weight (g/mol) | 114.144 |
| MDL Number | MFCD00001371 |
| SMILES | C1CCC(C1)C(=O)O |
| Synonym | cyclopentane carboxylic acid,cyclopentylcarboxylic acid,cyclopentancarboxylic acid,cyclopentanoic acid,unii-z6691vh94a,cyclopentylmethanoic acid,pubchem14153,carboxycyclopentane,cyclopentyl carboxylic acid,acmc-209i4g |
| IUPAC Name | cyclopentanecarboxylic acid |
| InChI Key | JBDSSBMEKXHSJF-UHFFFAOYSA-N |
| Molecular Formula | C6H10O2 |
2-Methylvaleric Acid 98.0+%, TCI America™
CAS: 97-61-0 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00002671 InChI Key: OVBFMEVBMNZIBR-UHFFFAOYSA-N Synonym: 2-methylvaleric acid,pentanoic acid, 2-methyl,valeric acid, 2-methyl,methylpropylacetic acid,2-pentanecarboxylic acid,2-methyl valeric acid,alpha-methylvaleric acid,pentanoic acid, methyl,kyselina 2-methylvalerova,fema no. 2754 PubChem CID: 7341 IUPAC Name: 2-methylpentanoic acid SMILES: CCCC(C)C(=O)O
| PubChem CID | 7341 |
|---|---|
| CAS | 97-61-0 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00002671 |
| SMILES | CCCC(C)C(=O)O |
| Synonym | 2-methylvaleric acid,pentanoic acid, 2-methyl,valeric acid, 2-methyl,methylpropylacetic acid,2-pentanecarboxylic acid,2-methyl valeric acid,alpha-methylvaleric acid,pentanoic acid, methyl,kyselina 2-methylvalerova,fema no. 2754 |
| IUPAC Name | 2-methylpentanoic acid |
| InChI Key | OVBFMEVBMNZIBR-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
beta-Methyllevulinic Acid 98.0+%, TCI America™
CAS: 6628-79-1 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.143 MDL Number: MFCD00143691 InChI Key: NFIWUVRBASXMGK-UHFFFAOYSA-N Synonym: 3-Acetylbutyric Acid, 3-Methyl-4-oxopentanoic Acid PubChem CID: 246523 IUPAC Name: 3-methyl-4-oxopentanoic acid SMILES: CC(CC(=O)O)C(=O)C
| PubChem CID | 246523 |
|---|---|
| CAS | 6628-79-1 |
| Molecular Weight (g/mol) | 130.143 |
| MDL Number | MFCD00143691 |
| SMILES | CC(CC(=O)O)C(=O)C |
| Synonym | 3-Acetylbutyric Acid, 3-Methyl-4-oxopentanoic Acid |
| IUPAC Name | 3-methyl-4-oxopentanoic acid |
| InChI Key | NFIWUVRBASXMGK-UHFFFAOYSA-N |
| Molecular Formula | C6H10O3 |
3-Methylvaleric Acid 98.0+%, TCI America™
CAS: 105-43-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00002729,MFCD02262177 InChI Key: IGIDLTISMCAULB-UHFFFAOYNA-N Synonym: 3-methylvaleric acid,3-methyl-pentanoic acid,pentanoic acid, 3-methyl,3-methyl valeric acid,dl-3-methylvaleric acid,3-methyl pentanoic acid,sec-butylacetic acid,valeric acid, 3-methyl,beta-methylvaleric acid,3-methyl-n-valeric acid PubChem CID: 7755 IUPAC Name: 3-methylpentanoic acid SMILES: CCC(C)CC(O)=O
| PubChem CID | 7755 |
|---|---|
| CAS | 105-43-1 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00002729,MFCD02262177 |
| SMILES | CCC(C)CC(O)=O |
| Synonym | 3-methylvaleric acid,3-methyl-pentanoic acid,pentanoic acid, 3-methyl,3-methyl valeric acid,dl-3-methylvaleric acid,3-methyl pentanoic acid,sec-butylacetic acid,valeric acid, 3-methyl,beta-methylvaleric acid,3-methyl-n-valeric acid |
| IUPAC Name | 3-methylpentanoic acid |
| InChI Key | IGIDLTISMCAULB-UHFFFAOYNA-N |
| Molecular Formula | C6H12O2 |
2-Ethylbutyl Acetate 98.0+%, TCI America™
CAS: 10031-87-5 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00009343 InChI Key: HQLKZWRSOHTERR-UHFFFAOYSA-N Synonym: acetic acid, 2-ethylbutyl ester,2-ethyl butyl acetate,beta-ethylbutyl acetate,acetic acid 2-ethylbutyl ester,1-butanol, 2-ethyl-, acetate,fema no. 2425,2-ethylbutylacetat,2-ethylbutyl=acetate,acmc-2097ot,2-ethylbutyl acetate PubChem CID: 61448 IUPAC Name: 2-ethylbutyl acetate SMILES: CCC(CC)COC(=O)C
| PubChem CID | 61448 |
|---|---|
| CAS | 10031-87-5 |
| Molecular Weight (g/mol) | 144.214 |
| MDL Number | MFCD00009343 |
| SMILES | CCC(CC)COC(=O)C |
| Synonym | acetic acid, 2-ethylbutyl ester,2-ethyl butyl acetate,beta-ethylbutyl acetate,acetic acid 2-ethylbutyl ester,1-butanol, 2-ethyl-, acetate,fema no. 2425,2-ethylbutylacetat,2-ethylbutyl=acetate,acmc-2097ot,2-ethylbutyl acetate |
| IUPAC Name | 2-ethylbutyl acetate |
| InChI Key | HQLKZWRSOHTERR-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |