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Organic acids and derivatives

Organic compounds with acidic properties, and will commonly have carboxylic acids or similar functional groups in their structure. Derived compounds are also included.
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1,021 – 1,035 of 22,092 results
1,021
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Cyclohexanecarboxylic acid, 98%

CAS: 98-89-5 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00001461 InChI Key: NZNMSOFKMUBTKW-UHFFFAOYSA-N Synonym: hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid PubChem CID: 7413 ChEBI: CHEBI:36096 IUPAC Name: cyclohexanecarboxylic acid SMILES: C1CCC(CC1)C(=O)O

PubChem CID 7413
CAS 98-89-5
Molecular Weight (g/mol) 128.17
ChEBI CHEBI:36096
MDL Number MFCD00001461
SMILES C1CCC(CC1)C(=O)O
Synonym hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid
IUPAC Name cyclohexanecarboxylic acid
InChI Key NZNMSOFKMUBTKW-UHFFFAOYSA-N
Molecular Formula C7H12O2
1,022

Ethyl 1-methyl-3-thien-2-yl-1H-pyrazole-5-carboxylate, 97%, Thermo Scientific™

CAS: 868755-61-7 Molecular Formula: C11H12N2O2S Molecular Weight (g/mol): 236.29 MDL Number: MFCD08060537 InChI Key: MUIUODSZPZJMMP-UHFFFAOYSA-N Synonym: ethyl 1-methyl-3-thien-2-yl-1h-pyrazole-5-carboxylate,ethyl 2-methyl-5-thiophen-2-yl pyrazole-3-carboxylate,ethyl 1-methyl-3-2-thienyl pyrazole-5-carboxylate,ethyl 1-methyl-3-thiophen-2-yl-1h-pyrazole-5-carboxylate,1h-pyrazole-5-carboxylicacid,1-methyl-3-2-thienyl-,ethyl ester,1h-pyrazole-5-carboxylicacid, 1-methyl-3-2-thienyl-, ethyl ester PubChem CID: 7537652 IUPAC Name: ethyl 2-methyl-5-thiophen-2-ylpyrazole-3-carboxylate SMILES: CCOC(=O)C1=CC(=NN1C)C1=CC=CS1

PubChem CID 7537652
CAS 868755-61-7
Molecular Weight (g/mol) 236.29
MDL Number MFCD08060537
SMILES CCOC(=O)C1=CC(=NN1C)C1=CC=CS1
Synonym ethyl 1-methyl-3-thien-2-yl-1h-pyrazole-5-carboxylate,ethyl 2-methyl-5-thiophen-2-yl pyrazole-3-carboxylate,ethyl 1-methyl-3-2-thienyl pyrazole-5-carboxylate,ethyl 1-methyl-3-thiophen-2-yl-1h-pyrazole-5-carboxylate,1h-pyrazole-5-carboxylicacid,1-methyl-3-2-thienyl-,ethyl ester,1h-pyrazole-5-carboxylicacid, 1-methyl-3-2-thienyl-, ethyl ester
IUPAC Name ethyl 2-methyl-5-thiophen-2-ylpyrazole-3-carboxylate
InChI Key MUIUODSZPZJMMP-UHFFFAOYSA-N
Molecular Formula C11H12N2O2S
1,023

Isopropyl Acetate, Certified Reference Material, MilliporeSigma™ Supelco™

Pharmaceutical secondary standards for applications in quality control. Provides pharma laboratories and manufacturers with a convenient, cost-effective alternative to the preparation of in-house working standards.

Boiling Point 85°C to 91°C (literature)
Linear Formula CH3COOCH(CH3)2
Grade Certified Reference Material
Vapor Pressure 47 mmHg (20°C)
Vapor Density 3.5 (vs air)
CAS 108-21-4
MDL Number MFCD00008877
Flash Point 4°C (Not applicable)
Health Hazard 1 H225 - H319 - H336
Refractive Index n20/D 1.377 (literature)
Synonym Isopropyl Acetate; Acetic Acid Isopropyl Ester
Molecular Formula C5H10O2
Formula Weight 102.13
Melting Point -73°C (literature)
1,024
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Ethyl cyanoformate, 99%

CAS: 623-49-4 Molecular Formula: C4H5NO2 Molecular Weight (g/mol): 99.09 MDL Number: MFCD00001836 InChI Key: MSMGXWFHBSCQFB-UHFFFAOYSA-N Synonym: carbonocyanidic acid, ethyl ester,ethyl carbonocyanidate,2-ethoxy-2-oxoacetonitrile,cyanoformic acid ethyl ester,ethyl carbonocyanidoate,formic acid, cyano-, ethyl ester,cyanocarbonyloxyethane,ethylcyanidocarbonat,ethyl cyanoformate,ethyl cyanocarbonate PubChem CID: 69336 IUPAC Name: ethyl cyanoformate SMILES: CCOC(=O)C#N

PubChem CID 69336
CAS 623-49-4
Molecular Weight (g/mol) 99.09
MDL Number MFCD00001836
SMILES CCOC(=O)C#N
Synonym carbonocyanidic acid, ethyl ester,ethyl carbonocyanidate,2-ethoxy-2-oxoacetonitrile,cyanoformic acid ethyl ester,ethyl carbonocyanidoate,formic acid, cyano-, ethyl ester,cyanocarbonyloxyethane,ethylcyanidocarbonat,ethyl cyanoformate,ethyl cyanocarbonate
IUPAC Name ethyl cyanoformate
InChI Key MSMGXWFHBSCQFB-UHFFFAOYSA-N
Molecular Formula C4H5NO2
1,025
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3-Acetoxy-2-butanone, 98%

CAS: 4906-24-5 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00051782 InChI Key: ZKPTYCJWRHHBOW-UHFFFAOYNA-N Synonym: 3-acetoxy-2-butanone,acetoin acetate,2-acetoxy-3-butanone,2-butanone, 3-acetyloxy,3-acetyloxy-2-butanone,2-butanon-3-ol, acetate,acetic acid 1-methyl-2-oxopropyl ester,2-butanon-3-yl acetate,3-hydroxy-2-butanone acetate,acetyl methyl carbinyl acetate PubChem CID: 521246 IUPAC Name: 3-oxobutan-2-yl acetate SMILES: CC(OC(C)=O)C(C)=O

PubChem CID 521246
CAS 4906-24-5
Molecular Weight (g/mol) 130.14
MDL Number MFCD00051782
SMILES CC(OC(C)=O)C(C)=O
Synonym 3-acetoxy-2-butanone,acetoin acetate,2-acetoxy-3-butanone,2-butanone, 3-acetyloxy,3-acetyloxy-2-butanone,2-butanon-3-ol, acetate,acetic acid 1-methyl-2-oxopropyl ester,2-butanon-3-yl acetate,3-hydroxy-2-butanone acetate,acetyl methyl carbinyl acetate
IUPAC Name 3-oxobutan-2-yl acetate
InChI Key ZKPTYCJWRHHBOW-UHFFFAOYNA-N
Molecular Formula C6H10O3
1,026
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n-Butyl levulinate, 98%

CAS: 2052-15-5 Molecular Formula: C9H16O3 Molecular Weight (g/mol): 172.224 MDL Number: MFCD00009449 InChI Key: ISBWNEKJSSLXOD-UHFFFAOYSA-N Synonym: butyl levulinate,n-butyl levulinate,butyl laevulinate,pentanoic acid, 4-oxo-, butyl ester,n-butyl laevulinate,levulinic acid, butyl ester,butyl 4-ketovalerate,4-ketopentanoic acid butyl ester,butyl acetylpropionate,n-butyl 4-oxopentanoate PubChem CID: 16331 IUPAC Name: butyl 4-oxopentanoate SMILES: CCCCOC(=O)CCC(=O)C

PubChem CID 16331
CAS 2052-15-5
Molecular Weight (g/mol) 172.224
MDL Number MFCD00009449
SMILES CCCCOC(=O)CCC(=O)C
Synonym butyl levulinate,n-butyl levulinate,butyl laevulinate,pentanoic acid, 4-oxo-, butyl ester,n-butyl laevulinate,levulinic acid, butyl ester,butyl 4-ketovalerate,4-ketopentanoic acid butyl ester,butyl acetylpropionate,n-butyl 4-oxopentanoate
IUPAC Name butyl 4-oxopentanoate
InChI Key ISBWNEKJSSLXOD-UHFFFAOYSA-N
Molecular Formula C9H16O3
1,027
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n-Butyl propionate, 99%

CAS: 590-01-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00009448 InChI Key: BTMVHUNTONAYDX-UHFFFAOYSA-N Synonym: butyl propionate,n-butyl propionate,propanoic acid, butyl ester,n-butyl propanoate,propionic acid, butyl ester,propionic acid butyl ester,unii-2nxc4ak99e,butyl propionate natural,fema no. 2211,n-butyl n-propionate PubChem CID: 11529 IUPAC Name: butyl propanoate SMILES: CCCCOC(=O)CC

PubChem CID 11529
CAS 590-01-2
Molecular Weight (g/mol) 130.187
MDL Number MFCD00009448
SMILES CCCCOC(=O)CC
Synonym butyl propionate,n-butyl propionate,propanoic acid, butyl ester,n-butyl propanoate,propionic acid, butyl ester,propionic acid butyl ester,unii-2nxc4ak99e,butyl propionate natural,fema no. 2211,n-butyl n-propionate
IUPAC Name butyl propanoate
InChI Key BTMVHUNTONAYDX-UHFFFAOYSA-N
Molecular Formula C7H14O2
1,028
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Ethyl 2-methyl-4-pentenoate, 98%

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
1,029

Ethyl 5,5-dimethyl-2,4-dioxohexanoate, 97%, Thermo Scientific™

CAS: 13395-36-3 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.234 InChI Key: NIMKIMUBJFWPTD-UHFFFAOYSA-N Synonym: ethyl trimethylacetopyruvate,hexanoic acid, 5,5-dimethyl-2,4-dioxo-, ethyl ester,5,5-dimethyl-2,4-dioxo-hexanoic acid ethyl ester,5,5-dimethyl-2,4-dioxohexanoic acid ethyl ester,ethyl pivaloylpyruvate,pivaloylpyruvic acid ethyl ester,3-pivaloylpyruvic acid ethyl ester,ethyl5,5-dimethyl-2,4-dioxohexanoate,trimethylacetopyruvic acid ethyl ester,ethyl 5,5-dimethyl-2,4-dioxo-hexanoate PubChem CID: 83403 IUPAC Name: ethyl 5,5-dimethyl-2,4-dioxohexanoate SMILES: CCOC(=O)C(=O)CC(=O)C(C)(C)C

PubChem CID 83403
CAS 13395-36-3
Molecular Weight (g/mol) 200.234
SMILES CCOC(=O)C(=O)CC(=O)C(C)(C)C
Synonym ethyl trimethylacetopyruvate,hexanoic acid, 5,5-dimethyl-2,4-dioxo-, ethyl ester,5,5-dimethyl-2,4-dioxo-hexanoic acid ethyl ester,5,5-dimethyl-2,4-dioxohexanoic acid ethyl ester,ethyl pivaloylpyruvate,pivaloylpyruvic acid ethyl ester,3-pivaloylpyruvic acid ethyl ester,ethyl5,5-dimethyl-2,4-dioxohexanoate,trimethylacetopyruvic acid ethyl ester,ethyl 5,5-dimethyl-2,4-dioxo-hexanoate
IUPAC Name ethyl 5,5-dimethyl-2,4-dioxohexanoate
InChI Key NIMKIMUBJFWPTD-UHFFFAOYSA-N
Molecular Formula C10H16O4
1,030
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3-(1-Naphthyl)propionic acid, 96%

CAS: 3243-42-3 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.24 MDL Number: MFCD00033058 InChI Key: PRLKVVMRQFFIOQ-UHFFFAOYSA-N Synonym: 3-1-naphthyl propionic acid,3-naphthalen-1-yl propanoic acid,1-naphthalenepropanoic acid,1-naphthalenepropionic acid,3-1-naphthyl-propionic acid,3-1-naphthyl propanoic acid,3-naphth-1-yl propanoic acid,3-naphthalen-1-yl-propionic acid,1-naphthalenepropanoicacid,3-naphthylpropanoic acid PubChem CID: 95254 IUPAC Name: 3-naphthalen-1-ylpropanoic acid SMILES: OC(=O)CCC1=C2C=CC=CC2=CC=C1

PubChem CID 95254
CAS 3243-42-3
Molecular Weight (g/mol) 200.24
MDL Number MFCD00033058
SMILES OC(=O)CCC1=C2C=CC=CC2=CC=C1
Synonym 3-1-naphthyl propionic acid,3-naphthalen-1-yl propanoic acid,1-naphthalenepropanoic acid,1-naphthalenepropionic acid,3-1-naphthyl-propionic acid,3-1-naphthyl propanoic acid,3-naphth-1-yl propanoic acid,3-naphthalen-1-yl-propionic acid,1-naphthalenepropanoicacid,3-naphthylpropanoic acid
IUPAC Name 3-naphthalen-1-ylpropanoic acid
InChI Key PRLKVVMRQFFIOQ-UHFFFAOYSA-N
Molecular Formula C13H12O2
1,031

5-Thien-2-yl-1h-pyrazole-3-carboxylic acid, Thermo Scientific™

CAS: 182415-24-3 Molecular Formula: C8H6N2O2S Molecular Weight (g/mol): 194.208 MDL Number: MFCD05170066 InChI Key: DUDBNCNNJMOLCC-UHFFFAOYSA-N Synonym: 5-thiophen-2-yl-1h-pyrazole-3-carboxylic acid,5-thiophen-2-yl-2h-pyrazole-3-carboxylic acid,3-2-thienyl-1h-pyrazole-5-carboxylic acid,5-thien-2-yl-1h-pyrazole-3-carboxylic acid,5-2-thienyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylicacid, 5-2-thienyl,5-2-thienyl-3-pyrazolecarboxylic acid,3-thiophen-2-yl-1h-pyrazole-5-carboxylic acid,5-2-thienyl pyrazole-3-carboxylic acid PubChem CID: 818268 IUPAC Name: 5-thiophen-2-yl-1H-pyrazole-3-carboxylic acid SMILES: C1=CSC(=C1)C2=CC(=NN2)C(=O)O

PubChem CID 818268
CAS 182415-24-3
Molecular Weight (g/mol) 194.208
MDL Number MFCD05170066
SMILES C1=CSC(=C1)C2=CC(=NN2)C(=O)O
Synonym 5-thiophen-2-yl-1h-pyrazole-3-carboxylic acid,5-thiophen-2-yl-2h-pyrazole-3-carboxylic acid,3-2-thienyl-1h-pyrazole-5-carboxylic acid,5-thien-2-yl-1h-pyrazole-3-carboxylic acid,5-2-thienyl-1h-pyrazole-3-carboxylic acid,1h-pyrazole-3-carboxylicacid, 5-2-thienyl,5-2-thienyl-3-pyrazolecarboxylic acid,3-thiophen-2-yl-1h-pyrazole-5-carboxylic acid,5-2-thienyl pyrazole-3-carboxylic acid
IUPAC Name 5-thiophen-2-yl-1H-pyrazole-3-carboxylic acid
InChI Key DUDBNCNNJMOLCC-UHFFFAOYSA-N
Molecular Formula C8H6N2O2S
1,032
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2,2-Di-n-propylacetic acid, 98+%

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
1,033
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2-Phenylethyl acetate, 98%

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
1,034

Isopropyl acetate, 99%, pure

CAS: 108-21-4 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00008877 InChI Key: JMMWKPVZQRWMSS-UHFFFAOYSA-N Synonym: isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester PubChem CID: 7915 IUPAC Name: propan-2-yl acetate SMILES: CC(C)OC(=O)C

PubChem CID 7915
CAS 108-21-4
Molecular Weight (g/mol) 102.13
MDL Number MFCD00008877
SMILES CC(C)OC(=O)C
Synonym isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester
IUPAC Name propan-2-yl acetate
InChI Key JMMWKPVZQRWMSS-UHFFFAOYSA-N
Molecular Formula C5H10O2
1,035

n-Butyl acetate, 99.5%, for biochemistry, AcroSeal™

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