Organic acids and derivatives
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Ethyl Hexanoate 99.0+%, TCI America™
CAS: 123-66-0 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00009511 InChI Key: SHZIWNPUGXLXDT-UHFFFAOYSA-N Synonym: ethyl caproate,ethyl hexoate,hexanoic acid, ethyl ester,hexanoic acid ethyl ester,capronic ether absolute,caproic acid ethyl ester,ethyl n-hexanoate,ethyl butyl acetate,caproate,acetic acid, butyl-, ethyl ester PubChem CID: 31265 ChEBI: CHEBI:86055 IUPAC Name: ethyl hexanoate SMILES: CCCCCC(=O)OCC
| PubChem CID | 31265 |
|---|---|
| CAS | 123-66-0 |
| Molecular Weight (g/mol) | 144.214 |
| ChEBI | CHEBI:86055 |
| MDL Number | MFCD00009511 |
| SMILES | CCCCCC(=O)OCC |
| Synonym | ethyl caproate,ethyl hexoate,hexanoic acid, ethyl ester,hexanoic acid ethyl ester,capronic ether absolute,caproic acid ethyl ester,ethyl n-hexanoate,ethyl butyl acetate,caproate,acetic acid, butyl-, ethyl ester |
| IUPAC Name | ethyl hexanoate |
| InChI Key | SHZIWNPUGXLXDT-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
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 |
3-(Acetylthio)propionic Acid 98.0+%, TCI America™
CAS: 41345-70-4 Molecular Formula: C5H8O3S Molecular Weight (g/mol): 148.176 MDL Number: MFCD06208418 InChI Key: AYQXANXXZYKTDL-UHFFFAOYSA-N Synonym: 3-(Acetylthio)propanoic Acid PubChem CID: 262719 IUPAC Name: 3-acetylsulfanylpropanoic acid SMILES: CC(=O)SCCC(=O)O
| PubChem CID | 262719 |
|---|---|
| CAS | 41345-70-4 |
| Molecular Weight (g/mol) | 148.176 |
| MDL Number | MFCD06208418 |
| SMILES | CC(=O)SCCC(=O)O |
| Synonym | 3-(Acetylthio)propanoic Acid |
| IUPAC Name | 3-acetylsulfanylpropanoic acid |
| InChI Key | AYQXANXXZYKTDL-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3S |
4-Bromoantipyrine 98.0+%, TCI America™
CAS: 5426-65-3 Molecular Formula: C11H11BrN2O Molecular Weight (g/mol): 267.126 MDL Number: MFCD00020779 InChI Key: QYWWSDVPNCBSIA-UHFFFAOYSA-N PubChem CID: 95032 IUPAC Name: 4-bromo-1,5-dimethyl-2-phenylpyrazol-3-one SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)Br
| PubChem CID | 95032 |
|---|---|
| CAS | 5426-65-3 |
| Molecular Weight (g/mol) | 267.126 |
| MDL Number | MFCD00020779 |
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)Br |
| IUPAC Name | 4-bromo-1,5-dimethyl-2-phenylpyrazol-3-one |
| InChI Key | QYWWSDVPNCBSIA-UHFFFAOYSA-N |
| Molecular Formula | C11H11BrN2O |
Niceritrol 98.0+%, TCI America™
CAS: 5868-05-3 Molecular Formula: C29H24N4O8 Molecular Weight (g/mol): 556.53 MDL Number: MFCD00215982 InChI Key: KUEUWHJGRZKESU-UHFFFAOYSA-N Synonym: Pentaerythritol Tetranicotinate PubChem CID: 4476 IUPAC Name: [3-(pyridine-3-carbonyloxy)-2,2-bis(pyridine-3-carbonyloxymethyl)propyl] pyridine-3-carboxylate SMILES: C1=CC(=CN=C1)C(=O)OCC(COC(=O)C2=CN=CC=C2)(COC(=O)C3=CN=CC=C3)COC(=O)C4=CN=CC=C4
| PubChem CID | 4476 |
|---|---|
| CAS | 5868-05-3 |
| Molecular Weight (g/mol) | 556.53 |
| MDL Number | MFCD00215982 |
| SMILES | C1=CC(=CN=C1)C(=O)OCC(COC(=O)C2=CN=CC=C2)(COC(=O)C3=CN=CC=C3)COC(=O)C4=CN=CC=C4 |
| Synonym | Pentaerythritol Tetranicotinate |
| IUPAC Name | [3-(pyridine-3-carbonyloxy)-2,2-bis(pyridine-3-carbonyloxymethyl)propyl] pyridine-3-carboxylate |
| InChI Key | KUEUWHJGRZKESU-UHFFFAOYSA-N |
| Molecular Formula | C29H24N4O8 |
2-Naphthaleneacetic Acid 98.0+%, TCI America™
CAS: 581-96-4 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00004126 InChI Key: VIBOGIYPPWLDTI-UHFFFAOYSA-N Synonym: 2-naphthylacetic acid,2-naphthaleneacetic acid,2-naphthalen-2-yl acetic acid,betoxan,2-2-naphthyl acetic acid,beta-naphthylacetic acid,beta-naphthaleneacetic acid,beta-naphthaleneacetate,naphthalen-2-ylacetic acid,.beta.-naphthaleneacetic acid PubChem CID: 11393 ChEBI: CHEBI:37837 IUPAC Name: 2-(naphthalen-2-yl)acetic acid SMILES: OC(=O)CC1=CC=C2C=CC=CC2=C1
| PubChem CID | 11393 |
|---|---|
| CAS | 581-96-4 |
| Molecular Weight (g/mol) | 186.21 |
| ChEBI | CHEBI:37837 |
| MDL Number | MFCD00004126 |
| SMILES | OC(=O)CC1=CC=C2C=CC=CC2=C1 |
| Synonym | 2-naphthylacetic acid,2-naphthaleneacetic acid,2-naphthalen-2-yl acetic acid,betoxan,2-2-naphthyl acetic acid,beta-naphthylacetic acid,beta-naphthaleneacetic acid,beta-naphthaleneacetate,naphthalen-2-ylacetic acid,.beta.-naphthaleneacetic acid |
| IUPAC Name | 2-(naphthalen-2-yl)acetic acid |
| InChI Key | VIBOGIYPPWLDTI-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2 |
Nicorandil 98.0+%, TCI America™
CAS: 65141-46-0 Molecular Formula: C8H9N3O4 Molecular Weight (g/mol): 211.18 MDL Number: MFCD00186520 InChI Key: LBHIOVVIQHSOQN-UHFFFAOYSA-N Synonym: nicorandil,ikorel,2-nicotinamidoethyl nitrate,adancor,dancor,nicorandilum,sigmart,2-pyridine-3-carbonylamino ethyl nitrate,n-2-hydroxyethyl nicotinamide nitrate,nicorandilum inn-latin PubChem CID: 47528 ChEBI: CHEBI:31905 IUPAC Name: 2-[(pyridin-3-yl)formamido]ethyl nitrate SMILES: [O-][N+](=O)OCCNC(=O)C1=CC=CN=C1
| PubChem CID | 47528 |
|---|---|
| CAS | 65141-46-0 |
| Molecular Weight (g/mol) | 211.18 |
| ChEBI | CHEBI:31905 |
| MDL Number | MFCD00186520 |
| SMILES | [O-][N+](=O)OCCNC(=O)C1=CC=CN=C1 |
| Synonym | nicorandil,ikorel,2-nicotinamidoethyl nitrate,adancor,dancor,nicorandilum,sigmart,2-pyridine-3-carbonylamino ethyl nitrate,n-2-hydroxyethyl nicotinamide nitrate,nicorandilum inn-latin |
| IUPAC Name | 2-[(pyridin-3-yl)formamido]ethyl nitrate |
| InChI Key | LBHIOVVIQHSOQN-UHFFFAOYSA-N |
| Molecular Formula | C8H9N3O4 |
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 |
Ethyl 3,3-Bis(methylthio)-2-cyanoacrylate 98.0+%, TCI America™
CAS: 17823-58-4 Molecular Formula: C8H11NO2S2 Molecular Weight (g/mol): 217.30 MDL Number: MFCD00143027 InChI Key: POABRARINOCORV-UHFFFAOYSA-N Synonym: 3,3-Bis(methylthio)-2-cyanoacrylic Acid Ethyl Ester PubChem CID: 2747745 IUPAC Name: ethyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate SMILES: CCOC(=O)C(C#N)=C(SC)SC
| PubChem CID | 2747745 |
|---|---|
| CAS | 17823-58-4 |
| Molecular Weight (g/mol) | 217.30 |
| MDL Number | MFCD00143027 |
| SMILES | CCOC(=O)C(C#N)=C(SC)SC |
| Synonym | 3,3-Bis(methylthio)-2-cyanoacrylic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-cyano-3,3-bis(methylsulfanyl)prop-2-enoate |
| InChI Key | POABRARINOCORV-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2S2 |
Propyl Butyrate 98.0+%, TCI America™
CAS: 105-66-8 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00009396 InChI Key: HUAZGNHGCJGYNP-UHFFFAOYSA-N Synonym: propyl butyrate,butanoic acid, propyl ester,propyl n-butyrate,butyric acid, propyl ester,1-propyl butyrate,n-propyl butyrate,n-propyl n-butyrate,n-propyl-n-butanoate,n-butyric acid n-propyl ester,butyric acid propyl ester PubChem CID: 7770 IUPAC Name: propyl butanoate SMILES: CCCC(=O)OCCC
| PubChem CID | 7770 |
|---|---|
| CAS | 105-66-8 |
| Molecular Weight (g/mol) | 130.187 |
| MDL Number | MFCD00009396 |
| SMILES | CCCC(=O)OCCC |
| Synonym | propyl butyrate,butanoic acid, propyl ester,propyl n-butyrate,butyric acid, propyl ester,1-propyl butyrate,n-propyl butyrate,n-propyl n-butyrate,n-propyl-n-butanoate,n-butyric acid n-propyl ester,butyric acid propyl ester |
| IUPAC Name | propyl butanoate |
| InChI Key | HUAZGNHGCJGYNP-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
3-(4-Nitrophenyl)propionic Acid 98.0+%, TCI America™
CAS: 16642-79-8 Molecular Formula: C9H9NO4 Molecular Weight (g/mol): 195.17 MDL Number: MFCD00126834 InChI Key: VZOPVJNBOQOLPN-UHFFFAOYSA-N Synonym: 3-4-nitrophenyl propanoic acid,3-4-nitrophenyl propionic acid,benzenepropanoic acid, 4-nitro,3-4-nitrophenyl-propionic acid,4-nitrobenzenepropanoic acid,p-nitrohydrozimtsaure,pubchem13615,p-nitrohydrocinnamic acid PubChem CID: 85526 IUPAC Name: 3-(4-nitrophenyl)propanoic acid SMILES: OC(=O)CCC1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 85526 |
|---|---|
| CAS | 16642-79-8 |
| Molecular Weight (g/mol) | 195.17 |
| MDL Number | MFCD00126834 |
| SMILES | OC(=O)CCC1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | 3-4-nitrophenyl propanoic acid,3-4-nitrophenyl propionic acid,benzenepropanoic acid, 4-nitro,3-4-nitrophenyl-propionic acid,4-nitrobenzenepropanoic acid,p-nitrohydrozimtsaure,pubchem13615,p-nitrohydrocinnamic acid |
| IUPAC Name | 3-(4-nitrophenyl)propanoic acid |
| InChI Key | VZOPVJNBOQOLPN-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO4 |
cis-3-Hexenyl cis-3-Hexenoate 95.0+%, TCI America™
CAS: 61444-38-0 Molecular Formula: C12H20O2 Molecular Weight (g/mol): 196.29 MDL Number: MFCD00036652 InChI Key: UZJQQWFHPLYECS-SFECMWDFSA-N Synonym: cis-3-Hexenoic Acid cis-3-Hexenyl Ester PubChem CID: 6435882 IUPAC Name: [(Z)-hex-3-enyl] (Z)-hex-3-enoate SMILES: CCC=CCCOC(=O)CC=CCC
| PubChem CID | 6435882 |
|---|---|
| CAS | 61444-38-0 |
| Molecular Weight (g/mol) | 196.29 |
| MDL Number | MFCD00036652 |
| SMILES | CCC=CCCOC(=O)CC=CCC |
| Synonym | cis-3-Hexenoic Acid cis-3-Hexenyl Ester |
| IUPAC Name | [(Z)-hex-3-enyl] (Z)-hex-3-enoate |
| InChI Key | UZJQQWFHPLYECS-SFECMWDFSA-N |
| Molecular Formula | C12H20O2 |
Isoamyl Butyrate 98.0+%, TCI America™
CAS: 106-27-4 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00044888 InChI Key: PQLMXFQTAMDXIZ-UHFFFAOYSA-N Synonym: isoamyl butyrate,isopentyl butyrate,isopentyl butanoate,isoamyl butanoate,butanoic acid, 3-methylbutyl ester,3-methylbutyl butyrate,butyric acid, isopentyl ester,isoamyl-n-butyrate,isopentyl alcohol, butyrate,isoamyl butylate PubChem CID: 7795 ChEBI: CHEBI:87422 IUPAC Name: 3-methylbutyl butanoate SMILES: CCCC(=O)OCCC(C)C
| PubChem CID | 7795 |
|---|---|
| CAS | 106-27-4 |
| Molecular Weight (g/mol) | 158.24 |
| ChEBI | CHEBI:87422 |
| MDL Number | MFCD00044888 |
| SMILES | CCCC(=O)OCCC(C)C |
| Synonym | isoamyl butyrate,isopentyl butyrate,isopentyl butanoate,isoamyl butanoate,butanoic acid, 3-methylbutyl ester,3-methylbutyl butyrate,butyric acid, isopentyl ester,isoamyl-n-butyrate,isopentyl alcohol, butyrate,isoamyl butylate |
| IUPAC Name | 3-methylbutyl butanoate |
| InChI Key | PQLMXFQTAMDXIZ-UHFFFAOYSA-N |
| Molecular Formula | C9H18O2 |
1-Naphthyl Butyrate 98.0+%, TCI America™
CAS: 3121-70-8 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.264 MDL Number: MFCD00003923 InChI Key: XIVJNRXPRQKFRZ-UHFFFAOYSA-N Synonym: 1-naphthyl butyrate,.alpha.-naphthyl butyrate,alpha-naphthyl butyrate,naphthalen-1-yl butyrate,butanoic acid, 1-naphthalenyl ester,butyric acid, 1-naphthyl ester,1-naphthylbutyrate,unii-9uzl9u0cik,butyric acid 1-naphthyl ester,9uzl9u0cik PubChem CID: 76571 IUPAC Name: naphthalen-1-yl butanoate SMILES: CCCC(=O)OC1=CC=CC2=CC=CC=C21
| PubChem CID | 76571 |
|---|---|
| CAS | 3121-70-8 |
| Molecular Weight (g/mol) | 214.264 |
| MDL Number | MFCD00003923 |
| SMILES | CCCC(=O)OC1=CC=CC2=CC=CC=C21 |
| Synonym | 1-naphthyl butyrate,.alpha.-naphthyl butyrate,alpha-naphthyl butyrate,naphthalen-1-yl butyrate,butanoic acid, 1-naphthalenyl ester,butyric acid, 1-naphthyl ester,1-naphthylbutyrate,unii-9uzl9u0cik,butyric acid 1-naphthyl ester,9uzl9u0cik |
| IUPAC Name | naphthalen-1-yl butanoate |
| InChI Key | XIVJNRXPRQKFRZ-UHFFFAOYSA-N |
| Molecular Formula | C14H14O2 |
Ethyl tert-Butylacetate 99.0+%, TCI America™
CAS: 5340-78-3 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00026911 InChI Key: JWMNHAMYTBAUPI-UHFFFAOYSA-N Synonym: ethyl tert-butylacetate,ethyl 3,3-dimethylbutyrate,t-c4h9ch2c o och2ch3,3,3-dimethylbutyric acid ethyl ester,jwmnhamytbaupi-uhfffaoysa,tert-butylacetic acid ethyl ester,tert-butylacetic ethyl ester,butanoic acid, 3,3-dimethyl-, ethyl ester PubChem CID: 79284 IUPAC Name: ethyl 3,3-dimethylbutanoate SMILES: CCOC(=O)CC(C)(C)C
| PubChem CID | 79284 |
|---|---|
| CAS | 5340-78-3 |
| Molecular Weight (g/mol) | 144.214 |
| MDL Number | MFCD00026911 |
| SMILES | CCOC(=O)CC(C)(C)C |
| Synonym | ethyl tert-butylacetate,ethyl 3,3-dimethylbutyrate,t-c4h9ch2c o och2ch3,3,3-dimethylbutyric acid ethyl ester,jwmnhamytbaupi-uhfffaoysa,tert-butylacetic acid ethyl ester,tert-butylacetic ethyl ester,butanoic acid, 3,3-dimethyl-, ethyl ester |
| IUPAC Name | ethyl 3,3-dimethylbutanoate |
| InChI Key | JWMNHAMYTBAUPI-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |