Organic acids and derivatives
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Isobutyl Palmitate 97.0+%, TCI America™
CAS: 110-34-9 Molecular Formula: C20H40O2 Molecular Weight (g/mol): 312.538 MDL Number: MFCD00059289 InChI Key: OJIBJRXMHVZPLV-UHFFFAOYSA-N Synonym: Palmitic Acid Isobutyl Ester PubChem CID: 66967 IUPAC Name: 2-methylpropyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC(C)C
| PubChem CID | 66967 |
|---|---|
| CAS | 110-34-9 |
| Molecular Weight (g/mol) | 312.538 |
| MDL Number | MFCD00059289 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(C)C |
| Synonym | Palmitic Acid Isobutyl Ester |
| IUPAC Name | 2-methylpropyl hexadecanoate |
| InChI Key | OJIBJRXMHVZPLV-UHFFFAOYSA-N |
| Molecular Formula | C20H40O2 |
Pentyl Valerate 98.0+%, TCI America™
CAS: 2173-56-0 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.27 MDL Number: MFCD00042904 InChI Key: FGPPDYNPZTUNIU-UHFFFAOYSA-N Synonym: pentyl valerate,amyl valerate,pentanoic acid, pentyl ester,n-pentyl valerate,amyl valerianate,valeric acid, pentyl ester,1-pentyl n-valerate,valeric acid pentyl ester,pentanoicacid, pentyl ester,pentanoic acid pentyl ester PubChem CID: 62433 IUPAC Name: pentyl pentanoate SMILES: CCCCCOC(=O)CCCC
| PubChem CID | 62433 |
|---|---|
| CAS | 2173-56-0 |
| Molecular Weight (g/mol) | 172.27 |
| MDL Number | MFCD00042904 |
| SMILES | CCCCCOC(=O)CCCC |
| Synonym | pentyl valerate,amyl valerate,pentanoic acid, pentyl ester,n-pentyl valerate,amyl valerianate,valeric acid, pentyl ester,1-pentyl n-valerate,valeric acid pentyl ester,pentanoicacid, pentyl ester,pentanoic acid pentyl ester |
| IUPAC Name | pentyl pentanoate |
| InChI Key | FGPPDYNPZTUNIU-UHFFFAOYSA-N |
| Molecular Formula | C10H20O2 |
1-Methyl-1-cyclohexanecarboxylic Acid 99.0+%, TCI America™
CAS: 1123-25-7 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00001463 InChI Key: REHQLKUNRPCYEW-UHFFFAOYSA-N Synonym: 1-methylcyclohexanecarboxylic acid,1-methyl-1-cyclohexanecarboxylic acid,1-methylcyclohexylcarboxylic acid,1-methylcyclohexanoic acid,cyclohexanecarboxylic acid, 1-methyl,1-methyl-1-cyclohexanoic acid,1-methyl-cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, methyl,acmc-2099ec,4-09-00-00041 beilstein handbook reference PubChem CID: 70744 IUPAC Name: 1-methylcyclohexane-1-carboxylic acid SMILES: CC1(CCCCC1)C(=O)O
| PubChem CID | 70744 |
|---|---|
| CAS | 1123-25-7 |
| Molecular Weight (g/mol) | 142.198 |
| MDL Number | MFCD00001463 |
| SMILES | CC1(CCCCC1)C(=O)O |
| Synonym | 1-methylcyclohexanecarboxylic acid,1-methyl-1-cyclohexanecarboxylic acid,1-methylcyclohexylcarboxylic acid,1-methylcyclohexanoic acid,cyclohexanecarboxylic acid, 1-methyl,1-methyl-1-cyclohexanoic acid,1-methyl-cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, methyl,acmc-2099ec,4-09-00-00041 beilstein handbook reference |
| IUPAC Name | 1-methylcyclohexane-1-carboxylic acid |
| InChI Key | REHQLKUNRPCYEW-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
Rhodium(II) Acetate Dimer, TCI America™
CAS: 15956-28-2 Molecular Formula: C8H12O8Rh2 Molecular Weight (g/mol): 441.99 MDL Number: MFCD00003538 InChI Key: VOXKIADTKKPBBP-UHFFFAOYSA-N Synonym: rhodium ii acetate,rhodium diacetate,acetic acid, rhodium 2+ salt,rhodium ii acetate dimer dihydrate,dirhodium tetraacetate,rhodium ii acetate dimer,rhodium acetate, brown, water soluble,diacetoxyrhodium PubChem CID: 122130469 IUPAC Name: tetramethyl-2,4,6,8,9,11,12,14-octaoxa-1,5-dirhodatetracyclo[3.3.3.3¹,⁵.0¹,⁵]tetradecane-1,1,5,5-tetrakis(ylium)-3,7,10,13-tetraide SMILES: C[C-]1O[Rh++]234O[C-](C)O[Rh++]2(O1)(O[C-](C)O3)O[C-](C)O4
| PubChem CID | 122130469 |
|---|---|
| CAS | 15956-28-2 |
| Molecular Weight (g/mol) | 441.99 |
| MDL Number | MFCD00003538 |
| SMILES | C[C-]1O[Rh++]234O[C-](C)O[Rh++]2(O1)(O[C-](C)O3)O[C-](C)O4 |
| Synonym | rhodium ii acetate,rhodium diacetate,acetic acid, rhodium 2+ salt,rhodium ii acetate dimer dihydrate,dirhodium tetraacetate,rhodium ii acetate dimer,rhodium acetate, brown, water soluble,diacetoxyrhodium |
| IUPAC Name | tetramethyl-2,4,6,8,9,11,12,14-octaoxa-1,5-dirhodatetracyclo[3.3.3.3¹,⁵.0¹,⁵]tetradecane-1,1,5,5-tetrakis(ylium)-3,7,10,13-tetraide |
| InChI Key | VOXKIADTKKPBBP-UHFFFAOYSA-N |
| Molecular Formula | C8H12O8Rh2 |
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 |
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 |
(2-Mercapto-4-methyl-5-thiazolyl)acetic Acid 98.0+%, TCI America™
CAS: 34272-64-5 Molecular Formula: C6H7NO2S2 Molecular Weight (g/mol): 189.247 MDL Number: MFCD01750430 InChI Key: KYBOCQHDFLVQIB-UHFFFAOYSA-N Synonym: 5-(Carboxymethyl)-2-mercapto-4-methylthiazole PubChem CID: 3035180 IUPAC Name: 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetic acid SMILES: CC1=C(SC(=S)N1)CC(=O)O
| PubChem CID | 3035180 |
|---|---|
| CAS | 34272-64-5 |
| Molecular Weight (g/mol) | 189.247 |
| MDL Number | MFCD01750430 |
| SMILES | CC1=C(SC(=S)N1)CC(=O)O |
| Synonym | 5-(Carboxymethyl)-2-mercapto-4-methylthiazole |
| IUPAC Name | 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetic acid |
| InChI Key | KYBOCQHDFLVQIB-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2S2 |
4-Butylcyclohexanecarboxylic Acid (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 71101-89-8 Molecular Formula: C11H20O2 Molecular Weight (g/mol): 184.279 MDL Number: MFCD00460757 InChI Key: BALGERHMIXFENA-UHFFFAOYSA-N PubChem CID: 2060518 IUPAC Name: 4-butylcyclohexane-1-carboxylic acid SMILES: CCCCC1CCC(CC1)C(=O)O
| PubChem CID | 2060518 |
|---|---|
| CAS | 71101-89-8 |
| Molecular Weight (g/mol) | 184.279 |
| MDL Number | MFCD00460757 |
| SMILES | CCCCC1CCC(CC1)C(=O)O |
| IUPAC Name | 4-butylcyclohexane-1-carboxylic acid |
| InChI Key | BALGERHMIXFENA-UHFFFAOYSA-N |
| Molecular Formula | C11H20O2 |
Ethyl Arachidate 95.0+%, TCI America™
CAS: 18281-05-5 Molecular Formula: C22H44O2 Molecular Weight (g/mol): 340.59 MDL Number: MFCD00056233 InChI Key: YBKSMWBLSBAFBQ-UHFFFAOYSA-N Synonym: Icosanoic Acid Ethyl Ester, Arachidic Acid Ethyl Ester, Ethyl Icosanoate PubChem CID: 29009 ChEBI: CHEBI:84859 IUPAC Name: ethyl icosanoate SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OCC
| PubChem CID | 29009 |
|---|---|
| CAS | 18281-05-5 |
| Molecular Weight (g/mol) | 340.59 |
| ChEBI | CHEBI:84859 |
| MDL Number | MFCD00056233 |
| SMILES | CCCCCCCCCCCCCCCCCCCC(=O)OCC |
| Synonym | Icosanoic Acid Ethyl Ester, Arachidic Acid Ethyl Ester, Ethyl Icosanoate |
| IUPAC Name | ethyl icosanoate |
| InChI Key | YBKSMWBLSBAFBQ-UHFFFAOYSA-N |
| Molecular Formula | C22H44O2 |
tert-Butyl Cyanoacetate 97.0+%, TCI America™
CAS: 1116-98-9 Molecular Formula: C7H11NO2 Molecular Weight (g/mol): 141.17 MDL Number: MFCD00001938 InChI Key: BFNYNEMRWHFIMR-UHFFFAOYSA-N Synonym: tert-butyl cyanoacetate,t-butyl cyanoacetate,acetic acid, cyano-, 1,1-dimethylethyl ester,cyanoacetic acid tert-butyl ester,acetic acid, cyano-, tert-butyl ester,acetic acid, 2-cyano-, 1,1-dimethylethyl ester,tert-butylcyanacetat,t-butylcyanoacetate,tert-butylcyanoacetate,tert butyl cyanoacetate PubChem CID: 70693 IUPAC Name: tert-butyl 2-cyanoacetate SMILES: CC(C)(C)OC(=O)CC#N
| PubChem CID | 70693 |
|---|---|
| CAS | 1116-98-9 |
| Molecular Weight (g/mol) | 141.17 |
| MDL Number | MFCD00001938 |
| SMILES | CC(C)(C)OC(=O)CC#N |
| Synonym | tert-butyl cyanoacetate,t-butyl cyanoacetate,acetic acid, cyano-, 1,1-dimethylethyl ester,cyanoacetic acid tert-butyl ester,acetic acid, cyano-, tert-butyl ester,acetic acid, 2-cyano-, 1,1-dimethylethyl ester,tert-butylcyanacetat,t-butylcyanoacetate,tert-butylcyanoacetate,tert butyl cyanoacetate |
| IUPAC Name | tert-butyl 2-cyanoacetate |
| InChI Key | BFNYNEMRWHFIMR-UHFFFAOYSA-N |
| Molecular Formula | C7H11NO2 |
Isoamyl Acetate 98.0+%, TCI America™
CAS: 123-92-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00008946 InChI Key: MLFHJEHSLIIPHL-UHFFFAOYSA-N Synonym: isoamyl acetate,isopentyl acetate,isopentyl ethanoate,banana oil,pear oil,3-methylbutyl ethanoate,isoamyl ethanoate,iso-amyl acetate,3-methyl-1-butyl acetate,i-amyl acetate PubChem CID: 31276 ChEBI: CHEBI:31725 IUPAC Name: 3-methylbutyl acetate SMILES: CC(C)CCOC(C)=O
| PubChem CID | 31276 |
|---|---|
| CAS | 123-92-2 |
| Molecular Weight (g/mol) | 130.19 |
| ChEBI | CHEBI:31725 |
| MDL Number | MFCD00008946 |
| SMILES | CC(C)CCOC(C)=O |
| Synonym | isoamyl acetate,isopentyl acetate,isopentyl ethanoate,banana oil,pear oil,3-methylbutyl ethanoate,isoamyl ethanoate,iso-amyl acetate,3-methyl-1-butyl acetate,i-amyl acetate |
| IUPAC Name | 3-methylbutyl acetate |
| InChI Key | MLFHJEHSLIIPHL-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
3-(4-Fluorophenyl)propionic Acid 98.0+%, TCI America™
CAS: 459-31-4 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.167 MDL Number: MFCD00060327 InChI Key: ZMKXWDPUXLPHCA-UHFFFAOYSA-N Synonym: 3-4-fluorophenyl propionic acid,3-4-fluorophenyl propanoic acid,benzenepropanoic acid, 4-fluoro,3-4-fluoro-phenyl-propionic acid,3-4-fluorophenyl propionicacid,3-4'-fluorophenyl propanoic acid,acmc-1aehu,4-fluorohydrocinnamic acid,4-fluorophenylpropionic acid,4-fluorobenzenepropanoic acid PubChem CID: 136302 IUPAC Name: 3-(4-fluorophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)F
| PubChem CID | 136302 |
|---|---|
| CAS | 459-31-4 |
| Molecular Weight (g/mol) | 168.167 |
| MDL Number | MFCD00060327 |
| SMILES | C1=CC(=CC=C1CCC(=O)O)F |
| Synonym | 3-4-fluorophenyl propionic acid,3-4-fluorophenyl propanoic acid,benzenepropanoic acid, 4-fluoro,3-4-fluoro-phenyl-propionic acid,3-4-fluorophenyl propionicacid,3-4'-fluorophenyl propanoic acid,acmc-1aehu,4-fluorohydrocinnamic acid,4-fluorophenylpropionic acid,4-fluorobenzenepropanoic acid |
| IUPAC Name | 3-(4-fluorophenyl)propanoic acid |
| InChI Key | ZMKXWDPUXLPHCA-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO2 |
1-(p-Tolyl)-1-cyclohexanecarboxylic Acid 98.0+%, TCI America™
CAS: 84682-27-9 Molecular Formula: C14H18O2 Molecular Weight (g/mol): 218.30 MDL Number: MFCD00065264 InChI Key: BEVYUARQHKRBMH-UHFFFAOYSA-N Synonym: 1-4-methylphenyl cyclohexanecarboxylic acid,1-4-methylphenyl-1-cyclohexanecarboxylic acid,1-p-tolyl cyclohexanecarboxylic acid,1-p-tolyl-cyclohexanecarboxylic acid,1-4-methylphenyl cyclohexane-1-carboxylic acid,1-p-tolyl-1-cyclohexanecarboxylic acid,1-p-tolylcyclohexanecarboxylic acid,1-p-tolyl-1-cyclohexanecarboxylicacid,cyclohexanecarboxylicacid, 1-4-methylphenyl,cyclohexanecarboxylic acid, 1-4-methylphenyl PubChem CID: 98664 IUPAC Name: 1-(4-methylphenyl)cyclohexane-1-carboxylic acid SMILES: CC1=CC=C(C=C1)C1(CCCCC1)C(O)=O
| PubChem CID | 98664 |
|---|---|
| CAS | 84682-27-9 |
| Molecular Weight (g/mol) | 218.30 |
| MDL Number | MFCD00065264 |
| SMILES | CC1=CC=C(C=C1)C1(CCCCC1)C(O)=O |
| Synonym | 1-4-methylphenyl cyclohexanecarboxylic acid,1-4-methylphenyl-1-cyclohexanecarboxylic acid,1-p-tolyl cyclohexanecarboxylic acid,1-p-tolyl-cyclohexanecarboxylic acid,1-4-methylphenyl cyclohexane-1-carboxylic acid,1-p-tolyl-1-cyclohexanecarboxylic acid,1-p-tolylcyclohexanecarboxylic acid,1-p-tolyl-1-cyclohexanecarboxylicacid,cyclohexanecarboxylicacid, 1-4-methylphenyl,cyclohexanecarboxylic acid, 1-4-methylphenyl |
| IUPAC Name | 1-(4-methylphenyl)cyclohexane-1-carboxylic acid |
| InChI Key | BEVYUARQHKRBMH-UHFFFAOYSA-N |
| Molecular Formula | C14H18O2 |