Organic acids and derivatives
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4-Biphenylacetic Acid 98.0+%, TCI America™
CAS: 5728-52-9 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.248 MDL Number: MFCD00004351 InChI Key: QRZAKQDHEVVFRX-UHFFFAOYSA-N Synonym: 4-biphenylacetic acid,felbinac,4-biphenylylacetic acid,traxam,dolinac,4-carboxymethylbiphenyl,napageln,2-4-phenylphenyl acetic acid,p-biphenylylacetic acid,1,1'-biphenyl-4-acetic acid PubChem CID: 3332 ChEBI: CHEBI:31597 IUPAC Name: 2-(4-phenylphenyl)acetic acid SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O
| PubChem CID | 3332 |
|---|---|
| CAS | 5728-52-9 |
| Molecular Weight (g/mol) | 212.248 |
| ChEBI | CHEBI:31597 |
| MDL Number | MFCD00004351 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O |
| Synonym | 4-biphenylacetic acid,felbinac,4-biphenylylacetic acid,traxam,dolinac,4-carboxymethylbiphenyl,napageln,2-4-phenylphenyl acetic acid,p-biphenylylacetic acid,1,1'-biphenyl-4-acetic acid |
| IUPAC Name | 2-(4-phenylphenyl)acetic acid |
| InChI Key | QRZAKQDHEVVFRX-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
Ethyl Pentadecanoate 97.0+%, TCI America™
CAS: 41114-00-5 Molecular Formula: C17H34O2 Molecular Weight (g/mol): 270.46 MDL Number: MFCD00042872 InChI Key: PTEYJUIKYIKULL-UHFFFAOYSA-N Synonym: pentadecanoic acid, ethyl ester,n-pentadecanoic acid ethyl ester,unii-hj2a096y4t,pentadecanoic acid ethyl ester,ethyl=pentadecanoate,acmc-209jim,pentadecanoic acid,ethyl ester,ethyl pentadecanoate PubChem CID: 38762 IUPAC Name: ethyl pentadecanoate SMILES: CCCCCCCCCCCCCCC(=O)OCC
| PubChem CID | 38762 |
|---|---|
| CAS | 41114-00-5 |
| Molecular Weight (g/mol) | 270.46 |
| MDL Number | MFCD00042872 |
| SMILES | CCCCCCCCCCCCCCC(=O)OCC |
| Synonym | pentadecanoic acid, ethyl ester,n-pentadecanoic acid ethyl ester,unii-hj2a096y4t,pentadecanoic acid ethyl ester,ethyl=pentadecanoate,acmc-209jim,pentadecanoic acid,ethyl ester,ethyl pentadecanoate |
| IUPAC Name | ethyl pentadecanoate |
| InChI Key | PTEYJUIKYIKULL-UHFFFAOYSA-N |
| Molecular Formula | C17H34O2 |
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 |
Butyl Acetate 99.0+%, TCI America™
CAS: 123-86-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009445 InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N Synonym: n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle PubChem CID: 31272 ChEBI: CHEBI:31328 IUPAC Name: butyl acetate SMILES: CCCCOC(C)=O
| PubChem CID | 31272 |
|---|---|
| CAS | 123-86-4 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:31328 |
| MDL Number | MFCD00009445 |
| SMILES | CCCCOC(C)=O |
| Synonym | n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle |
| IUPAC Name | butyl acetate |
| InChI Key | DKPFZGUDAPQIHT-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Propyl n-Octanoate 98.0+%, TCI America™
CAS: 624-13-5 Molecular Formula: C11H22O2 Molecular Weight (g/mol): 186.30 MDL Number: MFCD00056317 InChI Key: IDHBLVYDNJDWNO-UHFFFAOYSA-N Synonym: n-Octanoic Acid Propyl Ester PubChem CID: 69351 ChEBI: CHEBI:87374 IUPAC Name: propyl octanoate SMILES: CCCCCCCC(=O)OCCC
| PubChem CID | 69351 |
|---|---|
| CAS | 624-13-5 |
| Molecular Weight (g/mol) | 186.30 |
| ChEBI | CHEBI:87374 |
| MDL Number | MFCD00056317 |
| SMILES | CCCCCCCC(=O)OCCC |
| Synonym | n-Octanoic Acid Propyl Ester |
| IUPAC Name | propyl octanoate |
| InChI Key | IDHBLVYDNJDWNO-UHFFFAOYSA-N |
| Molecular Formula | C11H22O2 |
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 |
Indole-2-carboxylic Acid 98.0+%, TCI America™
CAS: 1477-50-5 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005611 InChI Key: HCUARRIEZVDMPT-UHFFFAOYSA-N Synonym: indole-2-carboxylic acid,2-carboxyindole,2-indolecarboxylic acid,indol-2-carboxylic acid,1h-indolecarboxylic acid,indole-2-carboxylate,2-indolylformic acid,2-indole carboxylic acid,1h-indol-2-carbons,carboxyindole PubChem CID: 72899 IUPAC Name: 1H-indole-2-carboxylic acid SMILES: OC(=O)C1=CC2=CC=CC=C2N1
| PubChem CID | 72899 |
|---|---|
| CAS | 1477-50-5 |
| Molecular Weight (g/mol) | 161.16 |
| MDL Number | MFCD00005611 |
| SMILES | OC(=O)C1=CC2=CC=CC=C2N1 |
| Synonym | indole-2-carboxylic acid,2-carboxyindole,2-indolecarboxylic acid,indol-2-carboxylic acid,1h-indolecarboxylic acid,indole-2-carboxylate,2-indolylformic acid,2-indole carboxylic acid,1h-indol-2-carbons,carboxyindole |
| IUPAC Name | 1H-indole-2-carboxylic acid |
| InChI Key | HCUARRIEZVDMPT-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
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 |
Ethyl 1,5-Dimethylpyrazole-3-carboxylate 98.0+%, TCI America™
CAS: 5744-51-4 Molecular Formula: C8H12N2O2 Molecular Weight (g/mol): 168.20 MDL Number: MFCD00085071 InChI Key: OJPXVXXMBWKEAT-UHFFFAOYSA-N PubChem CID: 138577 IUPAC Name: ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate SMILES: CCOC(=O)C1=NN(C)C(C)=C1
| PubChem CID | 138577 |
|---|---|
| CAS | 5744-51-4 |
| Molecular Weight (g/mol) | 168.20 |
| MDL Number | MFCD00085071 |
| SMILES | CCOC(=O)C1=NN(C)C(C)=C1 |
| IUPAC Name | ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate |
| InChI Key | OJPXVXXMBWKEAT-UHFFFAOYSA-N |
| Molecular Formula | C8H12N2O2 |
3-Indoleacrylic Acid 98.0+%, TCI America™
CAS: 1204-06-4 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.198 MDL Number: MFCD00005633 InChI Key: PLVPPLCLBIEYEA-AATRIKPKSA-N Synonym: 3-indoleacrylic acid,trans-3-indoleacrylic acid,indole-3-acrylic acid,3-indolylacrylic acid,indole-3beta-acrylic acid,3-1h-indol-3-yl acrylic acid,indole-3-crylic acid,2e-3-1h-indol-3-yl prop-2-enoic acid,trans-3-1h-indol-3-yl acrylic acid,indoleacrylic acid van PubChem CID: 5375048 IUPAC Name: (E)-3-(1H-indol-3-yl)prop-2-enoic acid SMILES: C1=CC=C2C(=C1)C(=CN2)C=CC(=O)O
| PubChem CID | 5375048 |
|---|---|
| CAS | 1204-06-4 |
| Molecular Weight (g/mol) | 187.198 |
| MDL Number | MFCD00005633 |
| SMILES | C1=CC=C2C(=C1)C(=CN2)C=CC(=O)O |
| Synonym | 3-indoleacrylic acid,trans-3-indoleacrylic acid,indole-3-acrylic acid,3-indolylacrylic acid,indole-3beta-acrylic acid,3-1h-indol-3-yl acrylic acid,indole-3-crylic acid,2e-3-1h-indol-3-yl prop-2-enoic acid,trans-3-1h-indol-3-yl acrylic acid,indoleacrylic acid van |
| IUPAC Name | (E)-3-(1H-indol-3-yl)prop-2-enoic acid |
| InChI Key | PLVPPLCLBIEYEA-AATRIKPKSA-N |
| Molecular Formula | C11H9NO2 |
Amyl Laurate 97.0+%, TCI America™
CAS: 5350-03-8 Molecular Formula: C17H34O2 Molecular Weight (g/mol): 270.46 MDL Number: MFCD00059218 InChI Key: PQWBDPUBNMEITD-UHFFFAOYSA-N Synonym: Lauric Acid Amyl Ester, Pentyl Laurate, Lauric Acid Pentyl Ester PubChem CID: 62571 IUPAC Name: pentyl dodecanoate SMILES: CCCCCCCCCCCC(=O)OCCCCC
| PubChem CID | 62571 |
|---|---|
| CAS | 5350-03-8 |
| Molecular Weight (g/mol) | 270.46 |
| MDL Number | MFCD00059218 |
| SMILES | CCCCCCCCCCCC(=O)OCCCCC |
| Synonym | Lauric Acid Amyl Ester, Pentyl Laurate, Lauric Acid Pentyl Ester |
| IUPAC Name | pentyl dodecanoate |
| InChI Key | PQWBDPUBNMEITD-UHFFFAOYSA-N |
| Molecular Formula | C17H34O2 |
Allyl Heptanoate 98.0+%, TCI America™
CAS: 142-19-8 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.252 MDL Number: MFCD00038341 InChI Key: SJWKGDGUQTWDRV-UHFFFAOYSA-N Synonym: allyl heptanoate,allyl heptylate,2-propenyl heptanoate,allyl enanthate,allyl heptoate,heptanoic acid, 2-propenyl ester,prop-2-en-1-yl heptanoate,heptanoic acid, allyl ester,allylester kyseliny enanthove,heptanoic acid, 2-propen-1-yl ester PubChem CID: 8878 IUPAC Name: prop-2-enyl heptanoate SMILES: CCCCCCC(=O)OCC=C
| PubChem CID | 8878 |
|---|---|
| CAS | 142-19-8 |
| Molecular Weight (g/mol) | 170.252 |
| MDL Number | MFCD00038341 |
| SMILES | CCCCCCC(=O)OCC=C |
| Synonym | allyl heptanoate,allyl heptylate,2-propenyl heptanoate,allyl enanthate,allyl heptoate,heptanoic acid, 2-propenyl ester,prop-2-en-1-yl heptanoate,heptanoic acid, allyl ester,allylester kyseliny enanthove,heptanoic acid, 2-propen-1-yl ester |
| IUPAC Name | prop-2-enyl heptanoate |
| InChI Key | SJWKGDGUQTWDRV-UHFFFAOYSA-N |
| Molecular Formula | C10H18O2 |
Rhodanine-3-propionic Acid 98.0+%, TCI America™
CAS: 7025-19-6 Molecular Formula: C6H7NO3S2 Molecular Weight (g/mol): 205.246 MDL Number: MFCD00022558 InChI Key: SWAHCTPCIUXXTQ-UHFFFAOYSA-N Synonym: N-(2-Carboxyethyl)rhodanine PubChem CID: 81492 IUPAC Name: 3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid SMILES: C1C(=O)N(C(=S)S1)CCC(=O)O
| PubChem CID | 81492 |
|---|---|
| CAS | 7025-19-6 |
| Molecular Weight (g/mol) | 205.246 |
| MDL Number | MFCD00022558 |
| SMILES | C1C(=O)N(C(=S)S1)CCC(=O)O |
| Synonym | N-(2-Carboxyethyl)rhodanine |
| IUPAC Name | 3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid |
| InChI Key | SWAHCTPCIUXXTQ-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO3S2 |
cis-3-Hexen-1-yl 2-Methylbutyrate 97.0+%, TCI America™
CAS: 53398-85-9 Molecular Formula: C11H20O2 Molecular Weight (g/mol): 184.279 MDL Number: MFCD00036530 InChI Key: JKKGTSUICJWEKB-SREVYHEPSA-N Synonym: 2-Methylbutyric Acid cis-3-Hexen-1-yl Ester PubChem CID: 5365069 IUPAC Name: [(Z)-hex-3-enyl] 2-methylbutanoate SMILES: CCC=CCCOC(=O)C(C)CC
| PubChem CID | 5365069 |
|---|---|
| CAS | 53398-85-9 |
| Molecular Weight (g/mol) | 184.279 |
| MDL Number | MFCD00036530 |
| SMILES | CCC=CCCOC(=O)C(C)CC |
| Synonym | 2-Methylbutyric Acid cis-3-Hexen-1-yl Ester |
| IUPAC Name | [(Z)-hex-3-enyl] 2-methylbutanoate |
| InChI Key | JKKGTSUICJWEKB-SREVYHEPSA-N |
| Molecular Formula | C11H20O2 |
Ethyl Thioglycolate 97.0+%, TCI America™
CAS: 623-51-8 Molecular Formula: C4H8O2S Molecular Weight (g/mol): 120.166 MDL Number: MFCD00004874 InChI Key: PVBRSNZAOAJRKO-UHFFFAOYSA-N Synonym: ethyl thioglycolate,ethyl mercaptoacetate,ethyl 2-mercaptoacetate,mercaptoacetic acid ethyl ester,ethyl thioglycollate,acetic acid, mercapto-, ethyl ester,thioglycolic acid ethyl ester,ethyl mercaptoacetic acid,usaf ek-2070,acetic acid, 2-mercapto-, ethyl ester PubChem CID: 12185 IUPAC Name: ethyl 2-sulfanylacetate SMILES: CCOC(=O)CS
| PubChem CID | 12185 |
|---|---|
| CAS | 623-51-8 |
| Molecular Weight (g/mol) | 120.166 |
| MDL Number | MFCD00004874 |
| SMILES | CCOC(=O)CS |
| Synonym | ethyl thioglycolate,ethyl mercaptoacetate,ethyl 2-mercaptoacetate,mercaptoacetic acid ethyl ester,ethyl thioglycollate,acetic acid, mercapto-, ethyl ester,thioglycolic acid ethyl ester,ethyl mercaptoacetic acid,usaf ek-2070,acetic acid, 2-mercapto-, ethyl ester |
| IUPAC Name | ethyl 2-sulfanylacetate |
| InChI Key | PVBRSNZAOAJRKO-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2S |