Organic acids and derivatives
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Octadecyl Thioglycolate 50.0+%, TCI America™
CAS: 10220-46-9 Molecular Formula: C20H40O2S Molecular Weight (g/mol): 344.60 MDL Number: MFCD00022084 InChI Key: JQTFPHLEQLLQOT-UHFFFAOYSA-N Synonym: Mercaptoacetic Acid Octadecyl Ester, Thioglycolic Acid Octadecyl Ester, Stearyl Thioglycolate, Thioglycolic Acid Stearyl Ester PubChem CID: 82462 IUPAC Name: octadecyl 2-sulfanylacetate SMILES: CCCCCCCCCCCCCCCCCCOC(=O)CS
| PubChem CID | 82462 |
|---|---|
| CAS | 10220-46-9 |
| Molecular Weight (g/mol) | 344.60 |
| MDL Number | MFCD00022084 |
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CS |
| Synonym | Mercaptoacetic Acid Octadecyl Ester, Thioglycolic Acid Octadecyl Ester, Stearyl Thioglycolate, Thioglycolic Acid Stearyl Ester |
| IUPAC Name | octadecyl 2-sulfanylacetate |
| InChI Key | JQTFPHLEQLLQOT-UHFFFAOYSA-N |
| Molecular Formula | C20H40O2S |
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 |
2-Phenylethyl Acetate 98.0+%, TCI America™
CAS: 103-45-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008720 InChI Key: MDHYEMXUFSJLGV-UHFFFAOYSA-N Synonym: phenethyl acetate,2-phenethyl acetate,acetic acid, 2-phenylethyl ester,benzylcarbinyl acetate,beta-phenylethyl acetate,acetic acid, phenethyl ester,phenethyl alcohol, acetate,phenylethyl acetate,acetic acid phenethyl ester,ethanol, 2-phenyl-, acetate PubChem CID: 7654 ChEBI: CHEBI:31988 IUPAC Name: 2-phenylethyl acetate SMILES: CC(=O)OCCC1=CC=CC=C1
| PubChem CID | 7654 |
|---|---|
| CAS | 103-45-7 |
| Molecular Weight (g/mol) | 164.20 |
| ChEBI | CHEBI:31988 |
| MDL Number | MFCD00008720 |
| SMILES | CC(=O)OCCC1=CC=CC=C1 |
| Synonym | phenethyl acetate,2-phenethyl acetate,acetic acid, 2-phenylethyl ester,benzylcarbinyl acetate,beta-phenylethyl acetate,acetic acid, phenethyl ester,phenethyl alcohol, acetate,phenylethyl acetate,acetic acid phenethyl ester,ethanol, 2-phenyl-, acetate |
| IUPAC Name | 2-phenylethyl acetate |
| InChI Key | MDHYEMXUFSJLGV-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
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 |
Ethyl Palmitate 97.0+%, TCI America™
CAS: 628-97-7 Molecular Formula: C18H36O2 Molecular Weight (g/mol): 284.48 MDL Number: MFCD00008996 InChI Key: XIRNKXNNONJFQO-UHFFFAOYSA-N Synonym: ethyl palmitate,hexadecanoic acid, ethyl ester,palmitic acid ethyl ester,ethyl cetylate,palmitic acid, ethyl ester,ethylpalmitate,unii-ird3m534zm,hexadecanoic acid ethyl ester,ethyl n-hexadecanoate,ird3m534zm PubChem CID: 12366 ChEBI: CHEBI:84932 IUPAC Name: ethyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCC
| PubChem CID | 12366 |
|---|---|
| CAS | 628-97-7 |
| Molecular Weight (g/mol) | 284.48 |
| ChEBI | CHEBI:84932 |
| MDL Number | MFCD00008996 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC |
| Synonym | ethyl palmitate,hexadecanoic acid, ethyl ester,palmitic acid ethyl ester,ethyl cetylate,palmitic acid, ethyl ester,ethylpalmitate,unii-ird3m534zm,hexadecanoic acid ethyl ester,ethyl n-hexadecanoate,ird3m534zm |
| IUPAC Name | ethyl hexadecanoate |
| InChI Key | XIRNKXNNONJFQO-UHFFFAOYSA-N |
| Molecular Formula | C18H36O2 |
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 |
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 |
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 |
Isopropyl Isobutyrate 98.0+%, TCI America™
CAS: 617-50-5 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00059365 InChI Key: WVRPFQGZHKZCEB-UHFFFAOYSA-N Synonym: Isobutyric Acid Isopropyl Ester PubChem CID: 12044 IUPAC Name: propan-2-yl 2-methylpropanoate SMILES: CC(C)OC(=O)C(C)C
| PubChem CID | 12044 |
|---|---|
| CAS | 617-50-5 |
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD00059365 |
| SMILES | CC(C)OC(=O)C(C)C |
| Synonym | Isobutyric Acid Isopropyl Ester |
| IUPAC Name | propan-2-yl 2-methylpropanoate |
| InChI Key | WVRPFQGZHKZCEB-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
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 |
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 |
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 |
Hexadecyl Gallate 95.0+%, TCI America™
CAS: 5026-65-3 Molecular Formula: C23H38O5 Molecular Weight (g/mol): 394.55 MDL Number: MFCD00016428 InChI Key: TYCUSKFOGZNIBO-UHFFFAOYSA-N Synonym: Cetyl Gallate, Gallic Acid Cetyl Ester, Gallic Acid Hexadecyl Ester PubChem CID: 78729 IUPAC Name: hexadecyl 3,4,5-trihydroxybenzoate SMILES: CCCCCCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1
| PubChem CID | 78729 |
|---|---|
| CAS | 5026-65-3 |
| Molecular Weight (g/mol) | 394.55 |
| MDL Number | MFCD00016428 |
| SMILES | CCCCCCCCCCCCCCCCOC(=O)C1=CC(O)=C(O)C(O)=C1 |
| Synonym | Cetyl Gallate, Gallic Acid Cetyl Ester, Gallic Acid Hexadecyl Ester |
| IUPAC Name | hexadecyl 3,4,5-trihydroxybenzoate |
| InChI Key | TYCUSKFOGZNIBO-UHFFFAOYSA-N |
| Molecular Formula | C23H38O5 |
Ethyl 2-Methyl-4-pentenoate 98.0+%, TCI America™
CAS: 53399-81-8 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00010235 InChI Key: BDBGKYIBDXAVMX-UHFFFAOYNA-N Synonym: ethyl 2-methyl-4-pentenoate,2-methyl-4-pentenoic acid ethyl ester,ethyl 2-methyl 4-pentenoate,4-pentenoic acid, 2-methyl-, ethyl ester,ethyl 2-methylpent-4-en-1-oate,ethyl 2-methyl-4-pentanoate,fema no. 3489,pineapple pentenoate,acmc-1ao14,ethyl-2-methyl-4-pentenoate PubChem CID: 62024 IUPAC Name: ethyl 2-methylpent-4-enoate SMILES: CCOC(=O)C(C)CC=C
| PubChem CID | 62024 |
|---|---|
| CAS | 53399-81-8 |
| Molecular Weight (g/mol) | 142.20 |
| MDL Number | MFCD00010235 |
| SMILES | CCOC(=O)C(C)CC=C |
| Synonym | ethyl 2-methyl-4-pentenoate,2-methyl-4-pentenoic acid ethyl ester,ethyl 2-methyl 4-pentenoate,4-pentenoic acid, 2-methyl-, ethyl ester,ethyl 2-methylpent-4-en-1-oate,ethyl 2-methyl-4-pentanoate,fema no. 3489,pineapple pentenoate,acmc-1ao14,ethyl-2-methyl-4-pentenoate |
| IUPAC Name | ethyl 2-methylpent-4-enoate |
| InChI Key | BDBGKYIBDXAVMX-UHFFFAOYNA-N |
| Molecular Formula | C8H14O2 |
Isoamyl Hexanoate 98.0+%, TCI America™
CAS: 2198-61-0 Molecular Formula: C11H22O2 Molecular Weight (g/mol): 186.295 MDL Number: MFCD00027280 InChI Key: XVSZRAWFCDHCBP-UHFFFAOYSA-N Synonym: Hexanoic Acid Isoamyl Ester, Isopentyl Hexanoate, Hexanoic Acid Isopentyl Ester PubChem CID: 16617 ChEBI: CHEBI:87542 IUPAC Name: 3-methylbutyl hexanoate SMILES: CCCCCC(=O)OCCC(C)C
| PubChem CID | 16617 |
|---|---|
| CAS | 2198-61-0 |
| Molecular Weight (g/mol) | 186.295 |
| ChEBI | CHEBI:87542 |
| MDL Number | MFCD00027280 |
| SMILES | CCCCCC(=O)OCCC(C)C |
| Synonym | Hexanoic Acid Isoamyl Ester, Isopentyl Hexanoate, Hexanoic Acid Isopentyl Ester |
| IUPAC Name | 3-methylbutyl hexanoate |
| InChI Key | XVSZRAWFCDHCBP-UHFFFAOYSA-N |
| Molecular Formula | C11H22O2 |