Organic acids and derivatives
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3-Phenylpyrazole-5-carboxylic Acid Hydrate 97.0+%, TCI America™
CAS: 5071-61-4 Molecular Formula: C10H7N2O2 Molecular Weight (g/mol): 187.18 MDL Number: MFCD01248821,MFCD05170017 InChI Key: QBPUOAJBMXXBNU-UHFFFAOYSA-M PubChem CID: 121025 IUPAC Name: 3-phenyl-1H-pyrazole-5-carboxylate SMILES: [O-]C(=O)C1=CC(=NN1)C1=CC=CC=C1
| PubChem CID | 121025 |
|---|---|
| CAS | 5071-61-4 |
| Molecular Weight (g/mol) | 187.18 |
| MDL Number | MFCD01248821,MFCD05170017 |
| SMILES | [O-]C(=O)C1=CC(=NN1)C1=CC=CC=C1 |
| IUPAC Name | 3-phenyl-1H-pyrazole-5-carboxylate |
| InChI Key | QBPUOAJBMXXBNU-UHFFFAOYSA-M |
| Molecular Formula | C10H7N2O2 |
Octadecyl 3-Mercaptopropionate (contains ca. 12% Hexadecyl 3-Mercaptopropionate) 85.0+%, TCI America™
CAS: 31778-15-1 Molecular Formula: C21H42O2S Molecular Weight (g/mol): 358.63 MDL Number: MFCD00046844 InChI Key: UCUPUEARJPTGKU-UHFFFAOYSA-N Synonym: 3-Mercaptopropionic Acid Octadecyl Ester, Stearyl 3-Mercaptopropionate, 3-Mercaptopropionic Acid Stearyl Ester PubChem CID: 169361 IUPAC Name: octadecyl 3-sulfanylpropanoate SMILES: CCCCCCCCCCCCCCCCCCOC(=O)CCS
| PubChem CID | 169361 |
|---|---|
| CAS | 31778-15-1 |
| Molecular Weight (g/mol) | 358.63 |
| MDL Number | MFCD00046844 |
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CCS |
| Synonym | 3-Mercaptopropionic Acid Octadecyl Ester, Stearyl 3-Mercaptopropionate, 3-Mercaptopropionic Acid Stearyl Ester |
| IUPAC Name | octadecyl 3-sulfanylpropanoate |
| InChI Key | UCUPUEARJPTGKU-UHFFFAOYSA-N |
| Molecular Formula | C21H42O2S |
Ethyl Linoleate 97.0+%, TCI America™
CAS: 544-35-4 Molecular Formula: C20H36O2 Molecular Weight (g/mol): 308.506 MDL Number: MFCD00009535 InChI Key: FMMOOAYVCKXGMF-MURFETPASA-N Synonym: ethyl linoleate,linoleic acid ethyl ester,mandenol,ethyl linolate,ethyl cis,cis-9,12-octadecadienoate,unii-mj2ytt4j8m,ethyl linoleate jan,mj2ytt4j8m,ethyl z,z-9,12-octadecadienoate,linoleic acid, ethyl ester PubChem CID: 5282184 ChEBI: CHEBI:31572 IUPAC Name: ethyl (9Z,12Z)-octadeca-9,12-dienoate SMILES: CCCCCC=CCC=CCCCCCCCC(=O)OCC
| PubChem CID | 5282184 |
|---|---|
| CAS | 544-35-4 |
| Molecular Weight (g/mol) | 308.506 |
| ChEBI | CHEBI:31572 |
| MDL Number | MFCD00009535 |
| SMILES | CCCCCC=CCC=CCCCCCCCC(=O)OCC |
| Synonym | ethyl linoleate,linoleic acid ethyl ester,mandenol,ethyl linolate,ethyl cis,cis-9,12-octadecadienoate,unii-mj2ytt4j8m,ethyl linoleate jan,mj2ytt4j8m,ethyl z,z-9,12-octadecadienoate,linoleic acid, ethyl ester |
| IUPAC Name | ethyl (9Z,12Z)-octadeca-9,12-dienoate |
| InChI Key | FMMOOAYVCKXGMF-MURFETPASA-N |
| Molecular Formula | C20H36O2 |
Octadecylamine Acetate 60.0+%, TCI America™
CAS: 2190-04-7 Molecular Formula: C20H43NO2 Molecular Weight (g/mol): 329.57 MDL Number: MFCD00060198 InChI Key: UPHWVVKYDQHTCF-UHFFFAOYSA-N Synonym: Aminooctadecane Acetate, Stearylamine Acetate, Octadecan-1-amine Acetate PubChem CID: 255899 IUPAC Name: acetic acid;octadecan-1-amine SMILES: CCCCCCCCCCCCCCCCCCN.CC(=O)O
| PubChem CID | 255899 |
|---|---|
| CAS | 2190-04-7 |
| Molecular Weight (g/mol) | 329.57 |
| MDL Number | MFCD00060198 |
| SMILES | CCCCCCCCCCCCCCCCCCN.CC(=O)O |
| Synonym | Aminooctadecane Acetate, Stearylamine Acetate, Octadecan-1-amine Acetate |
| IUPAC Name | acetic acid;octadecan-1-amine |
| InChI Key | UPHWVVKYDQHTCF-UHFFFAOYSA-N |
| Molecular Formula | C20H43NO2 |
4-Propylcyclohexanecarboxylic Acid (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 70928-91-5 Molecular Formula: C10H18O2 Molecular Weight (g/mol): 170.252 InChI Key: QCNUKEGGHOLBES-UHFFFAOYSA-N PubChem CID: 1490324 IUPAC Name: 4-propylcyclohexane-1-carboxylic acid SMILES: CCCC1CCC(CC1)C(=O)O
| PubChem CID | 1490324 |
|---|---|
| CAS | 70928-91-5 |
| Molecular Weight (g/mol) | 170.252 |
| SMILES | CCCC1CCC(CC1)C(=O)O |
| IUPAC Name | 4-propylcyclohexane-1-carboxylic acid |
| InChI Key | QCNUKEGGHOLBES-UHFFFAOYSA-N |
| Molecular Formula | C10H18O2 |
Butyl Cyanoacetate 98.0+%, TCI America™
CAS: 5459-58-5 Molecular Formula: C7H11NO2 Molecular Weight (g/mol): 141.17 MDL Number: MFCD00001941 InChI Key: DJACTCNGCHPGOI-UHFFFAOYSA-N Synonym: butyl cyanoacetate,n-butyl cyanoacetate,acetic acid, cyano-, butyl ester,unii-f9h6l20voh,cyanoacetic acid butyl ester,cyanoacetic acid n-butyl ester,acetic acid, 2-cyano-, butyl ester,f9h6l20voh,butyl 2-cyanoethanoate,acmc-209lho PubChem CID: 79571 IUPAC Name: butyl 2-cyanoacetate SMILES: CCCCOC(=O)CC#N
| PubChem CID | 79571 |
|---|---|
| CAS | 5459-58-5 |
| Molecular Weight (g/mol) | 141.17 |
| MDL Number | MFCD00001941 |
| SMILES | CCCCOC(=O)CC#N |
| Synonym | butyl cyanoacetate,n-butyl cyanoacetate,acetic acid, cyano-, butyl ester,unii-f9h6l20voh,cyanoacetic acid butyl ester,cyanoacetic acid n-butyl ester,acetic acid, 2-cyano-, butyl ester,f9h6l20voh,butyl 2-cyanoethanoate,acmc-209lho |
| IUPAC Name | butyl 2-cyanoacetate |
| InChI Key | DJACTCNGCHPGOI-UHFFFAOYSA-N |
| Molecular Formula | C7H11NO2 |
Iron(II) Acetate 90.0+%, TCI America™
CAS: 3094-87-9 Molecular Formula: C4H6FeO4 Molecular Weight (g/mol): 173.93 MDL Number: MFCD00058909 InChI Key: LNOZJRCUHSPCDZ-UHFFFAOYSA-L Synonym: iron ii acetate,ferrous acetate,iron diacetate,iron di acetate,iron 2+ acetate,acetic acid, iron 2+ salt,acetic acid, iron 2+ salt 2:1,unii-l80i7m6d3q,ferrousacetate PubChem CID: 18344 IUPAC Name: λ²-iron(2+) diacetate SMILES: [Fe++].CC([O-])=O.CC([O-])=O
| PubChem CID | 18344 |
|---|---|
| CAS | 3094-87-9 |
| Molecular Weight (g/mol) | 173.93 |
| MDL Number | MFCD00058909 |
| SMILES | [Fe++].CC([O-])=O.CC([O-])=O |
| Synonym | iron ii acetate,ferrous acetate,iron diacetate,iron di acetate,iron 2+ acetate,acetic acid, iron 2+ salt,acetic acid, iron 2+ salt 2:1,unii-l80i7m6d3q,ferrousacetate |
| IUPAC Name | λ²-iron(2+) diacetate |
| InChI Key | LNOZJRCUHSPCDZ-UHFFFAOYSA-L |
| Molecular Formula | C4H6FeO4 |
trans-4-Butylcyclohexanecarboxylic Acid 99.0+%, TCI America™
CAS: 38289-28-0 Molecular Formula: C11H20O2 Molecular Weight (g/mol): 184.279 MDL Number: MFCD00059560 InChI Key: BALGERHMIXFENA-UHFFFAOYSA-N Synonym: trans-4-butylcyclohexanecarboxylic acid,4-butylcyclohexanecarboxylic acid,trans-4-n-butylcyclohexanecarboxylic acid,4-butylcyclohexane carboxylic acid,4-n-butylcyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-butyl,trans-4-butylcyclohexane carboxylic acid,4-butylcyclohexanecarboxylic acid cis-and trans-mixture,cyclohexanecarboxylic acid, 4-butyl-, trans,enamine_005334 PubChem CID: 2060518 IUPAC Name: 4-butylcyclohexane-1-carboxylic acid SMILES: CCCCC1CCC(CC1)C(=O)O
| PubChem CID | 2060518 |
|---|---|
| CAS | 38289-28-0 |
| Molecular Weight (g/mol) | 184.279 |
| MDL Number | MFCD00059560 |
| SMILES | CCCCC1CCC(CC1)C(=O)O |
| Synonym | trans-4-butylcyclohexanecarboxylic acid,4-butylcyclohexanecarboxylic acid,trans-4-n-butylcyclohexanecarboxylic acid,4-butylcyclohexane carboxylic acid,4-n-butylcyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-butyl,trans-4-butylcyclohexane carboxylic acid,4-butylcyclohexanecarboxylic acid cis-and trans-mixture,cyclohexanecarboxylic acid, 4-butyl-, trans,enamine_005334 |
| IUPAC Name | 4-butylcyclohexane-1-carboxylic acid |
| InChI Key | BALGERHMIXFENA-UHFFFAOYSA-N |
| Molecular Formula | C11H20O2 |
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 |
Indazole-3-carboxylic Acid 98.0+%, TCI America™
CAS: 4498-67-3 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00211066 InChI Key: BHXVYTQDWMQVBI-UHFFFAOYSA-N Synonym: indazole-3-carboxylic acid,3-carboxyindazole,3-indazolecarboxylic acid,indazole-3-carboxylicacid,1h-indazol-3-carbonic acid,2h-indazole-3-carboxylic acid,3-carboxy-1h-indazole,1h-indazole-3-carbonic acid,1-h-indazole-3-carboxylic acid,benzopyrazole-3-carboxylic acid PubChem CID: 78250 IUPAC Name: 1H-indazole-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C(=NN2)C(=O)O
| PubChem CID | 78250 |
|---|---|
| CAS | 4498-67-3 |
| Molecular Weight (g/mol) | 162.148 |
| MDL Number | MFCD00211066 |
| SMILES | C1=CC=C2C(=C1)C(=NN2)C(=O)O |
| Synonym | indazole-3-carboxylic acid,3-carboxyindazole,3-indazolecarboxylic acid,indazole-3-carboxylicacid,1h-indazol-3-carbonic acid,2h-indazole-3-carboxylic acid,3-carboxy-1h-indazole,1h-indazole-3-carbonic acid,1-h-indazole-3-carboxylic acid,benzopyrazole-3-carboxylic acid |
| IUPAC Name | 1H-indazole-3-carboxylic acid |
| InChI Key | BHXVYTQDWMQVBI-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
3-Cyclopentylpropionic Acid 98.0+%, TCI America™
CAS: 140-77-2 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00001392 InChI Key: ZRPLANDPDWYOMZ-UHFFFAOYSA-N Synonym: 3-cyclopentylpropionic acid,cyclopentanepropanoic acid,cyclopentanepropionic acid,3-cylcopentylpropanoic acid,cyclopentylpropionic acid,propionic acid, 3-cyclopentyl,3-cyclopentyl-propionic acid,cypionic acid,3-cyclopentylpropionicacid,cipionate PubChem CID: 8818 ChEBI: CHEBI:50899 IUPAC Name: 3-cyclopentylpropanoic acid SMILES: OC(=O)CCC1CCCC1
| PubChem CID | 8818 |
|---|---|
| CAS | 140-77-2 |
| Molecular Weight (g/mol) | 142.20 |
| ChEBI | CHEBI:50899 |
| MDL Number | MFCD00001392 |
| SMILES | OC(=O)CCC1CCCC1 |
| Synonym | 3-cyclopentylpropionic acid,cyclopentanepropanoic acid,cyclopentanepropionic acid,3-cylcopentylpropanoic acid,cyclopentylpropionic acid,propionic acid, 3-cyclopentyl,3-cyclopentyl-propionic acid,cypionic acid,3-cyclopentylpropionicacid,cipionate |
| IUPAC Name | 3-cyclopentylpropanoic acid |
| InChI Key | ZRPLANDPDWYOMZ-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
Cyclopropanecarboxylic Acid 98.0+%, TCI America™
CAS: 1759-53-1 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00001287 InChI Key: YMGUBTXCNDTFJI-UHFFFAOYSA-N Synonym: carboxycyclopropane,cyclopropylcarboxylic acid,cyclopropionic acid,cyclopropane carboxylic acid,cyclopropanecarboxylicacid,cpc-acid,cyclopropyl carboxylic acid,trimethylenecarboxylic acid,cyclopropane carboylic acid,cyclopropane-carboxylic acid PubChem CID: 15655 ChEBI: CHEBI:23500 IUPAC Name: cyclopropanecarboxylic acid SMILES: C1CC1C(=O)O
| PubChem CID | 15655 |
|---|---|
| CAS | 1759-53-1 |
| Molecular Weight (g/mol) | 86.09 |
| ChEBI | CHEBI:23500 |
| MDL Number | MFCD00001287 |
| SMILES | C1CC1C(=O)O |
| Synonym | carboxycyclopropane,cyclopropylcarboxylic acid,cyclopropionic acid,cyclopropane carboxylic acid,cyclopropanecarboxylicacid,cpc-acid,cyclopropyl carboxylic acid,trimethylenecarboxylic acid,cyclopropane carboylic acid,cyclopropane-carboxylic acid |
| IUPAC Name | cyclopropanecarboxylic acid |
| InChI Key | YMGUBTXCNDTFJI-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2 |
2-Methyl-1-naphthyl Acetate 98.0+%, TCI America™
CAS: 5697-02-9 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.24 InChI Key: WVOAPRDRMLHUMI-UHFFFAOYSA-N Synonym: Acetic Acid 2-Methyl-1-naphthyl Ester, 1-Acetoxy-2-methylnaphthalene PubChem CID: 11805727 IUPAC Name: (2-methylnaphthalen-1-yl) acetate SMILES: CC1=C(C2=CC=CC=C2C=C1)OC(=O)C
| PubChem CID | 11805727 |
|---|---|
| CAS | 5697-02-9 |
| Molecular Weight (g/mol) | 200.24 |
| SMILES | CC1=C(C2=CC=CC=C2C=C1)OC(=O)C |
| Synonym | Acetic Acid 2-Methyl-1-naphthyl Ester, 1-Acetoxy-2-methylnaphthalene |
| IUPAC Name | (2-methylnaphthalen-1-yl) acetate |
| InChI Key | WVOAPRDRMLHUMI-UHFFFAOYSA-N |
| Molecular Formula | C13H12O2 |
m-Tolylacetic Acid 98.0+%, TCI America™
CAS: 621-36-3 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.18 MDL Number: MFCD00004340 InChI Key: GJMPSRSMBJLKKB-UHFFFAOYSA-N Synonym: 3-methylphenylacetic acid,m-tolylacetic acid,2-m-tolyl acetic acid,2-3-methylphenyl acetic acid,3-tolylacetic acid,m-methylphenylacetic acid,3-methylphenyl acetic acid,m-tolylaceticacid,benzeneacetic acid, 3-methyl,methyll 3-methylphenylacetate PubChem CID: 12121 IUPAC Name: 2-(3-methylphenyl)acetic acid SMILES: CC1=CC=CC(CC(O)=O)=C1
| PubChem CID | 12121 |
|---|---|
| CAS | 621-36-3 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00004340 |
| SMILES | CC1=CC=CC(CC(O)=O)=C1 |
| Synonym | 3-methylphenylacetic acid,m-tolylacetic acid,2-m-tolyl acetic acid,2-3-methylphenyl acetic acid,3-tolylacetic acid,m-methylphenylacetic acid,3-methylphenyl acetic acid,m-tolylaceticacid,benzeneacetic acid, 3-methyl,methyll 3-methylphenylacetate |
| IUPAC Name | 2-(3-methylphenyl)acetic acid |
| InChI Key | GJMPSRSMBJLKKB-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |