Carboxylic acids and derivatives
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2-Propylvaleric Acid 99.0+%, TCI America™
CAS: 99-66-1 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00002672 InChI Key: NIJJYAXOARWZEE-UHFFFAOYSA-N Synonym: valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl PubChem CID: 3121 ChEBI: CHEBI:39867 IUPAC Name: 2-propylpentanoic acid SMILES: CCCC(CCC)C(O)=O
| PubChem CID | 3121 |
|---|---|
| CAS | 99-66-1 |
| Molecular Weight (g/mol) | 144.21 |
| ChEBI | CHEBI:39867 |
| MDL Number | MFCD00002672 |
| SMILES | CCCC(CCC)C(O)=O |
| Synonym | valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl |
| IUPAC Name | 2-propylpentanoic acid |
| InChI Key | NIJJYAXOARWZEE-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
Ethyl Cyclobutanecarboxylate 98.0+%, TCI America™
CAS: 14924-53-9 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00001321 InChI Key: SMVBADCAMQOTOV-UHFFFAOYSA-N Synonym: Cyclobutanecarboxylic Acid Ethyl Ester PubChem CID: 84700 IUPAC Name: ethyl cyclobutanecarboxylate SMILES: CCOC(=O)C1CCC1
| PubChem CID | 84700 |
|---|---|
| CAS | 14924-53-9 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00001321 |
| SMILES | CCOC(=O)C1CCC1 |
| Synonym | Cyclobutanecarboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl cyclobutanecarboxylate |
| InChI Key | SMVBADCAMQOTOV-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
p-Tolylacetic Acid 98.0+%, TCI America™
CAS: 622-47-9 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00004353 InChI Key: GXXXUZIRGXYDFP-UHFFFAOYSA-N Synonym: p-tolylacetic acid,4-methylphenylacetic acid,2-p-tolyl acetic acid,2-4-methylphenyl acetic acid,p-methylphenylacetic acid,4-tolylacetic acid,4-methylphenyl acetic acid,benzeneacetic acid, 4-methyl,acetic acid, p-tolyl,2-p-tolylacetic acid PubChem CID: 248474 IUPAC Name: 2-(4-methylphenyl)acetic acid SMILES: CC1=CC=C(C=C1)CC(=O)O
| PubChem CID | 248474 |
|---|---|
| CAS | 622-47-9 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00004353 |
| SMILES | CC1=CC=C(C=C1)CC(=O)O |
| Synonym | p-tolylacetic acid,4-methylphenylacetic acid,2-p-tolyl acetic acid,2-4-methylphenyl acetic acid,p-methylphenylacetic acid,4-tolylacetic acid,4-methylphenyl acetic acid,benzeneacetic acid, 4-methyl,acetic acid, p-tolyl,2-p-tolylacetic acid |
| IUPAC Name | 2-(4-methylphenyl)acetic acid |
| InChI Key | GXXXUZIRGXYDFP-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
1H-Tetrazole-5-acetic Acid 98.0+%, TCI America™
CAS: 21743-75-9 Molecular Formula: C3H4N4O2 Molecular Weight (g/mol): 128.091 MDL Number: MFCD03094010 InChI Key: JUNAPQMUUHSYOV-UHFFFAOYSA-N PubChem CID: 89031 IUPAC Name: 2-(2H-tetrazol-5-yl)acetic acid SMILES: C(C1=NNN=N1)C(=O)O
| PubChem CID | 89031 |
|---|---|
| CAS | 21743-75-9 |
| Molecular Weight (g/mol) | 128.091 |
| MDL Number | MFCD03094010 |
| SMILES | C(C1=NNN=N1)C(=O)O |
| IUPAC Name | 2-(2H-tetrazol-5-yl)acetic acid |
| InChI Key | JUNAPQMUUHSYOV-UHFFFAOYSA-N |
| Molecular Formula | C3H4N4O2 |
Ethyl 4-Pentenoate 98.0+%, TCI America™
CAS: 1968-40-7 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 MDL Number: MFCD00036562 InChI Key: PTVSRINJXWDIKP-UHFFFAOYSA-N Synonym: ethyl 4-pentenoate,4-pentenoic acid ethyl ester,4-pentenoic acid, ethyl ester,ethyl pent-4-en-1-oate,unii-210um0f8jp,4-ethoxycarbonylbut-1-ene,pent-4-enoic acid ethyl ester,ethyl allylacetate,ethyl 4-pentenate,ethylpent-4-enoate PubChem CID: 74786 IUPAC Name: ethyl pent-4-enoate SMILES: CCOC(=O)CCC=C
| PubChem CID | 74786 |
|---|---|
| CAS | 1968-40-7 |
| Molecular Weight (g/mol) | 128.171 |
| MDL Number | MFCD00036562 |
| SMILES | CCOC(=O)CCC=C |
| Synonym | ethyl 4-pentenoate,4-pentenoic acid ethyl ester,4-pentenoic acid, ethyl ester,ethyl pent-4-en-1-oate,unii-210um0f8jp,4-ethoxycarbonylbut-1-ene,pent-4-enoic acid ethyl ester,ethyl allylacetate,ethyl 4-pentenate,ethylpent-4-enoate |
| IUPAC Name | ethyl pent-4-enoate |
| InChI Key | PTVSRINJXWDIKP-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
Amyl Butyrate 98.0+%, TCI America™
CAS: 540-18-1 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00048850 InChI Key: CFNJLPHOBMVMNS-UHFFFAOYSA-N Synonym: pentyl butyrate,amyl butyrate,n-amyl butyrate,butanoic acid, pentyl ester,amyl butanoate,1-pentyl butyrate,n-pentyl butanoate,n-pentyl n-butyrate,n-pentyl butyrate,butyric acid, pentyl ester PubChem CID: 10890 ChEBI: CHEBI:87684 IUPAC Name: pentyl butanoate SMILES: CCCCCOC(=O)CCC
| PubChem CID | 10890 |
|---|---|
| CAS | 540-18-1 |
| Molecular Weight (g/mol) | 158.24 |
| ChEBI | CHEBI:87684 |
| MDL Number | MFCD00048850 |
| SMILES | CCCCCOC(=O)CCC |
| Synonym | pentyl butyrate,amyl butyrate,n-amyl butyrate,butanoic acid, pentyl ester,amyl butanoate,1-pentyl butyrate,n-pentyl butanoate,n-pentyl n-butyrate,n-pentyl butyrate,butyric acid, pentyl ester |
| IUPAC Name | pentyl butanoate |
| InChI Key | CFNJLPHOBMVMNS-UHFFFAOYSA-N |
| Molecular Formula | C9H18O2 |
Hexyl Hexanoate 98.0+%, TCI America™
CAS: 6378-65-0 Molecular Formula: C12H24O2 Molecular Weight (g/mol): 200.32 MDL Number: MFCD00053808 InChI Key: NCDCLPBOMHPFCV-UHFFFAOYSA-N Synonym: Hexanoic Acid Hexyl Ester PubChem CID: 22873 IUPAC Name: hexyl hexanoate SMILES: CCCCCCOC(=O)CCCCC
| PubChem CID | 22873 |
|---|---|
| CAS | 6378-65-0 |
| Molecular Weight (g/mol) | 200.32 |
| MDL Number | MFCD00053808 |
| SMILES | CCCCCCOC(=O)CCCCC |
| Synonym | Hexanoic Acid Hexyl Ester |
| IUPAC Name | hexyl hexanoate |
| InChI Key | NCDCLPBOMHPFCV-UHFFFAOYSA-N |
| Molecular Formula | C12H24O2 |
Isopropyl Butyrate 99.0+%, TCI America™
CAS: 638-11-9 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00009390 InChI Key: FFOPEPMHKILNIT-UHFFFAOYSA-N Synonym: Butyric Acid Isopropyl Ester PubChem CID: 61184 IUPAC Name: propan-2-yl butanoate SMILES: CCCC(=O)OC(C)C
| PubChem CID | 61184 |
|---|---|
| CAS | 638-11-9 |
| Molecular Weight (g/mol) | 130.187 |
| MDL Number | MFCD00009390 |
| SMILES | CCCC(=O)OC(C)C |
| Synonym | Butyric Acid Isopropyl Ester |
| IUPAC Name | propan-2-yl butanoate |
| InChI Key | FFOPEPMHKILNIT-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
(S)-(+)-2,2-Dimethylcyclopropanecarboxylic Acid 98.0+%, TCI America™
CAS: 14590-53-5 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD08460918 InChI Key: BFNMOMYTTGHNGJ-SCSAIBSYSA-N PubChem CID: 10192561 IUPAC Name: (1S)-2,2-dimethylcyclopropane-1-carboxylic acid SMILES: CC1(CC1C(=O)O)C
| PubChem CID | 10192561 |
|---|---|
| CAS | 14590-53-5 |
| Molecular Weight (g/mol) | 114.144 |
| MDL Number | MFCD08460918 |
| SMILES | CC1(CC1C(=O)O)C |
| IUPAC Name | (1S)-2,2-dimethylcyclopropane-1-carboxylic acid |
| InChI Key | BFNMOMYTTGHNGJ-SCSAIBSYSA-N |
| Molecular Formula | C6H10O2 |
Ethyl 2-Cyano-2-methylpropionate 98.0+%, TCI America™
CAS: 1572-98-1 Molecular Formula: C7H11NO2 Molecular Weight (g/mol): 141.17 MDL Number: MFCD00034667 InChI Key: FYGRPGOHQCPZCV-UHFFFAOYSA-N PubChem CID: 344887 IUPAC Name: ethyl 2-cyano-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)C#N
| PubChem CID | 344887 |
|---|---|
| CAS | 1572-98-1 |
| Molecular Weight (g/mol) | 141.17 |
| MDL Number | MFCD00034667 |
| SMILES | CCOC(=O)C(C)(C)C#N |
| IUPAC Name | ethyl 2-cyano-2-methylpropanoate |
| InChI Key | FYGRPGOHQCPZCV-UHFFFAOYSA-N |
| Molecular Formula | C7H11NO2 |
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 |
Isopropyl Formate 97.0+%, TCI America™
CAS: 625-55-8 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.11 MDL Number: MFCD00014127 InChI Key: RMOUBSOVHSONPZ-UHFFFAOYSA-N Synonym: isopropyl formate,formic acid, 1-methylethyl ester,formic acid isopropyl ester,formic acid, isopropyl ester,isopropyl methanoate,1-methylethyl formate,methylethyl formate,unii-h1l164w42g,fema no. 2944,hcooch ch3 2 PubChem CID: 12257 IUPAC Name: propan-2-yl formate SMILES: CC(C)OC=O
| PubChem CID | 12257 |
|---|---|
| CAS | 625-55-8 |
| Molecular Weight (g/mol) | 88.11 |
| MDL Number | MFCD00014127 |
| SMILES | CC(C)OC=O |
| Synonym | isopropyl formate,formic acid, 1-methylethyl ester,formic acid isopropyl ester,formic acid, isopropyl ester,isopropyl methanoate,1-methylethyl formate,methylethyl formate,unii-h1l164w42g,fema no. 2944,hcooch ch3 2 |
| IUPAC Name | propan-2-yl formate |
| InChI Key | RMOUBSOVHSONPZ-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2 |
Guanabenz Acetate 98.0+%, TCI America™
CAS: 23256-50-0 Molecular Formula: C10H12Cl2N4O2 Molecular Weight (g/mol): 291.132 MDL Number: MFCD00153801 InChI Key: MCSPBPXATWBACD-UHFFFAOYSA-N Synonym: guanabenz wy-8678 acetate,2,6-dichlorobenzylidene-amino guanidine,acetic acid; 2-2,6-dichlorophenyl methylideneamino guanidine,n-2,6-dichlorophenyl methylidene amino guanidine; acetic acid PubChem CID: 6852405 IUPAC Name: acetic acid;2-[(2,6-dichlorophenyl)methylideneamino]guanidine SMILES: CC(=O)O.C1=CC(=C(C(=C1)Cl)C=NN=C(N)N)Cl
| PubChem CID | 6852405 |
|---|---|
| CAS | 23256-50-0 |
| Molecular Weight (g/mol) | 291.132 |
| MDL Number | MFCD00153801 |
| SMILES | CC(=O)O.C1=CC(=C(C(=C1)Cl)C=NN=C(N)N)Cl |
| Synonym | guanabenz wy-8678 acetate,2,6-dichlorobenzylidene-amino guanidine,acetic acid; 2-2,6-dichlorophenyl methylideneamino guanidine,n-2,6-dichlorophenyl methylidene amino guanidine; acetic acid |
| IUPAC Name | acetic acid;2-[(2,6-dichlorophenyl)methylideneamino]guanidine |
| InChI Key | MCSPBPXATWBACD-UHFFFAOYSA-N |
| Molecular Formula | C10H12Cl2N4O2 |
Ethyl n-Octanoate 98.0+%, TCI America™
CAS: 106-32-1 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.27 MDL Number: MFCD00009552 InChI Key: YYZUSRORWSJGET-UHFFFAOYSA-N Synonym: ethyl caprylate,octanoic acid, ethyl ester,ethyl n-octanoate,caprylic acid ethyl ester,ethyl octoate,ethyl octylate,octanoic acid ethyl ester,natural,unii-81c5mop582,fema no. 2449 PubChem CID: 7799 ChEBI: CHEBI:87426 IUPAC Name: ethyl octanoate SMILES: CCCCCCCC(=O)OCC
| PubChem CID | 7799 |
|---|---|
| CAS | 106-32-1 |
| Molecular Weight (g/mol) | 172.27 |
| ChEBI | CHEBI:87426 |
| MDL Number | MFCD00009552 |
| SMILES | CCCCCCCC(=O)OCC |
| Synonym | ethyl caprylate,octanoic acid, ethyl ester,ethyl n-octanoate,caprylic acid ethyl ester,ethyl octoate,ethyl octylate,octanoic acid ethyl ester,natural,unii-81c5mop582,fema no. 2449 |
| IUPAC Name | ethyl octanoate |
| InChI Key | YYZUSRORWSJGET-UHFFFAOYSA-N |
| Molecular Formula | C10H20O2 |
sec-Butyl Butyrate 98.0+%, TCI America™
CAS: 819-97-6 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD15072150 InChI Key: QJHDFBAAFGELLO-UHFFFAOYNA-N Synonym: Butyric Acid sec-Butyl Ester PubChem CID: 13174 ChEBI: CHEBI:87318 IUPAC Name: butan-2-yl butanoate SMILES: CCCC(=O)OC(C)CC
| PubChem CID | 13174 |
|---|---|
| CAS | 819-97-6 |
| Molecular Weight (g/mol) | 144.21 |
| ChEBI | CHEBI:87318 |
| MDL Number | MFCD15072150 |
| SMILES | CCCC(=O)OC(C)CC |
| Synonym | Butyric Acid sec-Butyl Ester |
| IUPAC Name | butan-2-yl butanoate |
| InChI Key | QJHDFBAAFGELLO-UHFFFAOYNA-N |
| Molecular Formula | C8H16O2 |