Carboxylic acids and derivatives
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Isopropyl n-Octanoate 97.0+%, TCI America™
CAS: 5458-59-3 Molecular Formula: C11H22O2 Molecular Weight (g/mol): 186.295 MDL Number: MFCD00059256 InChI Key: WCGIIHOFOFCKSM-UHFFFAOYSA-N Synonym: n-Octanoic Acid Isopropyl Ester PubChem CID: 21606 IUPAC Name: propan-2-yl octanoate SMILES: CCCCCCCC(=O)OC(C)C
| PubChem CID | 21606 |
|---|---|
| CAS | 5458-59-3 |
| Molecular Weight (g/mol) | 186.295 |
| MDL Number | MFCD00059256 |
| SMILES | CCCCCCCC(=O)OC(C)C |
| Synonym | n-Octanoic Acid Isopropyl Ester |
| IUPAC Name | propan-2-yl octanoate |
| InChI Key | WCGIIHOFOFCKSM-UHFFFAOYSA-N |
| Molecular Formula | C11H22O2 |
3-(Diethylamino)propionic Acid Hydrochloride 98.0+%, TCI America™
CAS: 15674-67-6 Molecular Formula: C7H16ClNO2 Molecular Weight (g/mol): 181.66 MDL Number: MFCD00012611 InChI Key: QQVHFNAGPZTCBE-UHFFFAOYSA-N Synonym: 3-diethylamino propanoic acid hydrochloride,n,n-diethyl-beta-alanine hydrochloride,3-diethylamino propionic acid hydrochloride,3-diethylaminopropionic acid hydrochloride,3-diethylamino-propionic acid hydrochloride,acmc-1busg,3-diethylamino propanoicacidhydrochloride,3-diethylamino propionicacidhydrochloride,3-diethylamino propionic acid hcl PubChem CID: 3084241 IUPAC Name: 3-(diethylamino)propanoic acid;hydrochloride SMILES: CCN(CC)CCC(=O)O.Cl
| PubChem CID | 3084241 |
|---|---|
| CAS | 15674-67-6 |
| Molecular Weight (g/mol) | 181.66 |
| MDL Number | MFCD00012611 |
| SMILES | CCN(CC)CCC(=O)O.Cl |
| Synonym | 3-diethylamino propanoic acid hydrochloride,n,n-diethyl-beta-alanine hydrochloride,3-diethylamino propionic acid hydrochloride,3-diethylaminopropionic acid hydrochloride,3-diethylamino-propionic acid hydrochloride,acmc-1busg,3-diethylamino propanoicacidhydrochloride,3-diethylamino propionicacidhydrochloride,3-diethylamino propionic acid hcl |
| IUPAC Name | 3-(diethylamino)propanoic acid;hydrochloride |
| InChI Key | QQVHFNAGPZTCBE-UHFFFAOYSA-N |
| Molecular Formula | C7H16ClNO2 |
Benzyl Butyrate 97.0+%, TCI America™
CAS: 103-37-7 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00027133 InChI Key: VONGZNXBKCOUHB-UHFFFAOYSA-N Synonym: benzyl butyrate,benzyl n-butyrate,butanoic acid, phenylmethyl ester,phenylmethyl butanoate,benzyl n-butanoate,butyric acid, benzyl ester,phenylmethyl butyrate,benzylester kyseliny maselne,benzylbutyrate,benzyl butyrate natural PubChem CID: 7650 IUPAC Name: benzyl butanoate SMILES: CCCC(=O)OCC1=CC=CC=C1
| PubChem CID | 7650 |
|---|---|
| CAS | 103-37-7 |
| Molecular Weight (g/mol) | 178.231 |
| MDL Number | MFCD00027133 |
| SMILES | CCCC(=O)OCC1=CC=CC=C1 |
| Synonym | benzyl butyrate,benzyl n-butyrate,butanoic acid, phenylmethyl ester,phenylmethyl butanoate,benzyl n-butanoate,butyric acid, benzyl ester,phenylmethyl butyrate,benzylester kyseliny maselne,benzylbutyrate,benzyl butyrate natural |
| IUPAC Name | benzyl butanoate |
| InChI Key | VONGZNXBKCOUHB-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
Butyl Myristate 97.0+%, TCI America™
CAS: 110-36-1 Molecular Formula: C18H36O2 Molecular Weight (g/mol): 284.484 MDL Number: MFCD00015077 InChI Key: DHAZIUXMHRHVMP-UHFFFAOYSA-N Synonym: Myristic Acid Butyl Ester PubChem CID: 8047 IUPAC Name: butyl tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)OCCCC
| PubChem CID | 8047 |
|---|---|
| CAS | 110-36-1 |
| Molecular Weight (g/mol) | 284.484 |
| MDL Number | MFCD00015077 |
| SMILES | CCCCCCCCCCCCCC(=O)OCCCC |
| Synonym | Myristic Acid Butyl Ester |
| IUPAC Name | butyl tetradecanoate |
| InChI Key | DHAZIUXMHRHVMP-UHFFFAOYSA-N |
| Molecular Formula | C18H36O2 |
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 |
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-Isoamyl-6-methyl-2-heptyl Myristate 95.0+%, TCI America™
CAS: 88332-30-3 Molecular Formula: C27H54O2 Molecular Weight (g/mol): 410.727 InChI Key: JHAGSLRTFDBCLA-UHFFFAOYSA-N Synonym: 3-Isoamyl-6-methyl-2-heptyl Tetradecanoate, 2-Isopentyl-1,5-dimethylhexyl Tetradecanoate, Myristic Acid 3-Isoamyl-6-methyl-2-heptyl Ester, Tetradecanoic Acid 3-Isoamyl-6-methyl-2-heptyl Ester PubChem CID: 44629799 IUPAC Name: [6-methyl-3-(3-methylbutyl)heptan-2-yl] tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)OC(C)C(CCC(C)C)CCC(C)C
| PubChem CID | 44629799 |
|---|---|
| CAS | 88332-30-3 |
| Molecular Weight (g/mol) | 410.727 |
| SMILES | CCCCCCCCCCCCCC(=O)OC(C)C(CCC(C)C)CCC(C)C |
| Synonym | 3-Isoamyl-6-methyl-2-heptyl Tetradecanoate, 2-Isopentyl-1,5-dimethylhexyl Tetradecanoate, Myristic Acid 3-Isoamyl-6-methyl-2-heptyl Ester, Tetradecanoic Acid 3-Isoamyl-6-methyl-2-heptyl Ester |
| IUPAC Name | [6-methyl-3-(3-methylbutyl)heptan-2-yl] tetradecanoate |
| InChI Key | JHAGSLRTFDBCLA-UHFFFAOYSA-N |
| Molecular Formula | C27H54O2 |
Benzoyl-beta-alanine 98.0+%, TCI America™
CAS: 3440-28-6 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 MDL Number: MFCD00037293 InChI Key: CWXYHOHYCJXYFQ-UHFFFAOYSA-N Synonym: Betamipron PubChem CID: 71651 IUPAC Name: 3-benzamidopropanoic acid SMILES: C1=CC=C(C=C1)C(=O)NCCC(=O)O
| PubChem CID | 71651 |
|---|---|
| CAS | 3440-28-6 |
| Molecular Weight (g/mol) | 193.202 |
| MDL Number | MFCD00037293 |
| SMILES | C1=CC=C(C=C1)C(=O)NCCC(=O)O |
| Synonym | Betamipron |
| IUPAC Name | 3-benzamidopropanoic acid |
| InChI Key | CWXYHOHYCJXYFQ-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO3 |
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 |
Butyl Laurate 99.0+%, TCI America™
CAS: 106-18-3 Molecular Formula: C16H32O2 Molecular Weight (g/mol): 256.43 MDL Number: MFCD00042870 InChI Key: NDKYEUQMPZIGFN-UHFFFAOYSA-N Synonym: butyl laurate,dodecanoic acid, butyl ester,n-butyl laurate,bytyl laurate,butyl dodecylate,lauric acid butyl ester,lauric acid, butyl ester,lauric acid n-butyl ester,unii-23985ocm4h,n-butyl n-dodecanoate PubChem CID: 61015 IUPAC Name: butyl dodecanoate SMILES: CCCCCCCCCCCC(=O)OCCCC
| PubChem CID | 61015 |
|---|---|
| CAS | 106-18-3 |
| Molecular Weight (g/mol) | 256.43 |
| MDL Number | MFCD00042870 |
| SMILES | CCCCCCCCCCCC(=O)OCCCC |
| Synonym | butyl laurate,dodecanoic acid, butyl ester,n-butyl laurate,bytyl laurate,butyl dodecylate,lauric acid butyl ester,lauric acid, butyl ester,lauric acid n-butyl ester,unii-23985ocm4h,n-butyl n-dodecanoate |
| IUPAC Name | butyl dodecanoate |
| InChI Key | NDKYEUQMPZIGFN-UHFFFAOYSA-N |
| Molecular Formula | C16H32O2 |
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 |
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 |
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 |