Monocarboxylic acids and derivatives

Organic compounds that contain one carboxyl group; carboxyl groups consist of a carbonyl group bonded to a hydroxy group. Includes compounds that are derived from monocarboxylic acids.

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151 – 165 of 2,269 results

151

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Butyl butyrate, 98%

CAS: 109-21-7 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00009450 InChI Key: XUPYJHCZDLZNFP-UHFFFAOYSA-N Synonym: butyl butyrate,n-butyl butyrate,butanoic acid, butyl ester,n-butyl butanoate,1-butyl butyrate,butyl butylate,butyric acid butyl ester,n-butyl n-butyrate,butyric acid, butyl ester,butyl n-butyrate PubChem CID: 7983 ChEBI: CHEBI:87429 IUPAC Name: butyl butanoate SMILES: CCCCOC(=O)CCC

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Specifications

PubChem CID	7983
CAS	109-21-7
Molecular Weight (g/mol)	144.21
ChEBI	CHEBI:87429
MDL Number	MFCD00009450
SMILES	CCCCOC(=O)CCC
Synonym	butyl butyrate,n-butyl butyrate,butanoic acid, butyl ester,n-butyl butanoate,1-butyl butyrate,butyl butylate,butyric acid butyl ester,n-butyl n-butyrate,butyric acid, butyl ester,butyl n-butyrate
IUPAC Name	butyl butanoate
InChI Key	XUPYJHCZDLZNFP-UHFFFAOYSA-N
Molecular Formula	C8H16O2

152

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Trichloroacetic anhydride, 95%

CAS: 4124-31-6 Molecular Formula: C₄Cl₆O₃ Molecular Weight (g/mol): 308.76 InChI Key: MEFKFJOEVLUFAY-UHFFFAOYSA-N Synonym: trichloroacetic anhydride,acetic acid, trichloro-, anhydride,acetic acid, 2,2,2-trichloro-, 1,1'-anhydride,acmc-1aliy,perchloroacetic anhydride,bis trichloroacetic anhydride,trichloroacetic acid anhydride,2,2,2-trichloroacetic anhydride,trichloroacetyl 2,2,2-trichloroacetate PubChem CID: 20079 IUPAC Name: (2,2,2-trichloroacetyl) 2,2,2-trichloroacetate SMILES: C(=O)(C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl

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Specifications

PubChem CID	20079
CAS	4124-31-6
Molecular Weight (g/mol)	308.76
SMILES	C(=O)(C(Cl)(Cl)Cl)OC(=O)C(Cl)(Cl)Cl
Synonym	trichloroacetic anhydride,acetic acid, trichloro-, anhydride,acetic acid, 2,2,2-trichloro-, 1,1'-anhydride,acmc-1aliy,perchloroacetic anhydride,bis trichloroacetic anhydride,trichloroacetic acid anhydride,2,2,2-trichloroacetic anhydride,trichloroacetyl 2,2,2-trichloroacetate
IUPAC Name	(2,2,2-trichloroacetyl) 2,2,2-trichloroacetate
InChI Key	MEFKFJOEVLUFAY-UHFFFAOYSA-N
Molecular Formula	C₄Cl₆O₃

153

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Propionic acid, ACS reagent

CAS: 79-09-4 Molecular Formula: C₃H₆O₂ Molecular Weight (g/mol): 74.08 InChI Key: XBDQKXXYIPTUBI-UHFFFAOYSA-N Synonym: propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin PubChem CID: 1032 ChEBI: CHEBI:30768 IUPAC Name: propanoic acid SMILES: CCC(=O)O

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Specifications

PubChem CID	1032
CAS	79-09-4
Molecular Weight (g/mol)	74.08
ChEBI	CHEBI:30768
SMILES	CCC(=O)O
Synonym	propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin
IUPAC Name	propanoic acid
InChI Key	XBDQKXXYIPTUBI-UHFFFAOYSA-N
Molecular Formula	C₃H₆O₂

154

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Ethyl levulinate, 98%

CAS: 539-88-8 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009209 InChI Key: GMEONFUTDYJSNV-UHFFFAOYSA-N Synonym: ethyl levulinate,ethyl levulate,ethyl laevulinate,levulinic acid, ethyl ester,ethyl 4-ketovalerate,ethyl 3-acetylpropionate,ethyl 4-oxovalerate,pentanoic acid, 4-oxo-, ethyl ester,ethyl ketovalerate,ethyl acetylpropanoate PubChem CID: 10883 IUPAC Name: ethyl 4-oxopentanoate SMILES: CCOC(=O)CCC(C)=O

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Specifications

PubChem CID	10883
CAS	539-88-8
Molecular Weight (g/mol)	144.17
MDL Number	MFCD00009209
SMILES	CCOC(=O)CCC(C)=O
Synonym	ethyl levulinate,ethyl levulate,ethyl laevulinate,levulinic acid, ethyl ester,ethyl 4-ketovalerate,ethyl 3-acetylpropionate,ethyl 4-oxovalerate,pentanoic acid, 4-oxo-, ethyl ester,ethyl ketovalerate,ethyl acetylpropanoate
IUPAC Name	ethyl 4-oxopentanoate
InChI Key	GMEONFUTDYJSNV-UHFFFAOYSA-N
Molecular Formula	C7H12O3

155

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Cyclohexanecarboxylic acid, 98%

CAS: 98-89-5 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 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

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Specifications

PubChem CID	7413
CAS	98-89-5
Molecular Weight (g/mol)	128.171
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

156

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4-(p-Tolyl)butyric acid, 97%

CAS: 4521-22-6 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00021786 InChI Key: IXWOVMRDYFFXGI-UHFFFAOYSA-N Synonym: 4-p-tolyl butanoic acid,4-p-tolyl butyric acid,4-4-methylphenyl butanoic acid,benzenebutanoic acid, 4-methyl,4-p-tolylbutyric acid,4-para-tolyl-butyric acid,4-4-methylphenyl butyric acid,4-p-tolyl butanoicacid,4-p-tolylbutanoic acid,4-p-tolyl-butyric acid PubChem CID: 78279 IUPAC Name: 4-(4-methylphenyl)butanoic acid SMILES: CC1=CC=C(C=C1)CCCC(=O)O

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Specifications

PubChem CID	78279
CAS	4521-22-6
Molecular Weight (g/mol)	178.231
MDL Number	MFCD00021786
SMILES	CC1=CC=C(C=C1)CCCC(=O)O
Synonym	4-p-tolyl butanoic acid,4-p-tolyl butyric acid,4-4-methylphenyl butanoic acid,benzenebutanoic acid, 4-methyl,4-p-tolylbutyric acid,4-para-tolyl-butyric acid,4-4-methylphenyl butyric acid,4-p-tolyl butanoicacid,4-p-tolylbutanoic acid,4-p-tolyl-butyric acid
IUPAC Name	4-(4-methylphenyl)butanoic acid
InChI Key	IXWOVMRDYFFXGI-UHFFFAOYSA-N
Molecular Formula	C11H14O2

157

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trans-3-(3-Pyridyl)acrylic acid, 99%

CAS: 19337-97-4 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00006410 InChI Key: VUVORVXMOLQFMO-ONEGZZNKSA-N Synonym: 3-3-pyridyl acrylic acid,trans-3-3-pyridyl acrylic acid,e-3-pyridin-3-yl acrylic acid,3-pyridylacrylic acid,2e-3-pyridin-3-ylacrylic acid,2e-3-pyridin-3-yl prop-2-enoic acid,3-pyridin-3-yl acrylic acid,trans-3-3'-pyridyl acrylic acid,3-3-pyridinyl acrylic acid,3-pyridinyl-acrylic acid PubChem CID: 776396 IUPAC Name: (E)-3-pyridin-3-ylprop-2-enoic acid SMILES: C1=CC(=CN=C1)C=CC(=O)O

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Specifications

PubChem CID	776396
CAS	19337-97-4
Molecular Weight (g/mol)	149.149
MDL Number	MFCD00006410
SMILES	C1=CC(=CN=C1)C=CC(=O)O
Synonym	3-3-pyridyl acrylic acid,trans-3-3-pyridyl acrylic acid,e-3-pyridin-3-yl acrylic acid,3-pyridylacrylic acid,2e-3-pyridin-3-ylacrylic acid,2e-3-pyridin-3-yl prop-2-enoic acid,3-pyridin-3-yl acrylic acid,trans-3-3'-pyridyl acrylic acid,3-3-pyridinyl acrylic acid,3-pyridinyl-acrylic acid
IUPAC Name	(E)-3-pyridin-3-ylprop-2-enoic acid
InChI Key	VUVORVXMOLQFMO-ONEGZZNKSA-N
Molecular Formula	C8H7NO2

158

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Ethyl 3-pyridineacetate, 99%

CAS: 39931-77-6 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00006411 InChI Key: RPWXYCRIAGBAGY-UHFFFAOYSA-N Synonym: ethyl 3-pyridylacetate,ethyl 2-pyridin-3-yl acetate,ethyl 3-pyridineacetate,3-pyridineacetic acid, ethyl ester,acetic acid, 2-3-pyridyl-, ethyl ester,pyridin-3-yl-acetic acid ethyl ester,3-pyridylacetic acid ethyl ester,ethyl 2-3-pyridyl acetate,pubchem20506,ethyl-3-pyridyl-acetate PubChem CID: 96490 IUPAC Name: ethyl 2-pyridin-3-ylacetate SMILES: CCOC(=O)CC1=CN=CC=C1

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Specifications

PubChem CID	96490
CAS	39931-77-6
Molecular Weight (g/mol)	165.192
MDL Number	MFCD00006411
SMILES	CCOC(=O)CC1=CN=CC=C1
Synonym	ethyl 3-pyridylacetate,ethyl 2-pyridin-3-yl acetate,ethyl 3-pyridineacetate,3-pyridineacetic acid, ethyl ester,acetic acid, 2-3-pyridyl-, ethyl ester,pyridin-3-yl-acetic acid ethyl ester,3-pyridylacetic acid ethyl ester,ethyl 2-3-pyridyl acetate,pubchem20506,ethyl-3-pyridyl-acetate
IUPAC Name	ethyl 2-pyridin-3-ylacetate
InChI Key	RPWXYCRIAGBAGY-UHFFFAOYSA-N
Molecular Formula	C9H11NO2

159

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5-Acetylvaleric acid, 96%

CAS: 3128-07-2 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00051479 InChI Key: IZOQMUVIDMLRDC-UHFFFAOYSA-N Synonym: 5-acetylvaleric acid,heptanoic acid, 6-oxo,5-aceto valeric acid,6-oxo-heptanoic acid,unii-4u902i8qzo,5-acetylvalericacid,6-oxoenanthic acid,6-ketoheptanoic acid,5-acetylpentanoic acid,# PubChem CID: 98810 IUPAC Name: 6-oxoheptanoic acid SMILES: CC(=O)CCCCC(=O)O

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Specifications

PubChem CID	98810
CAS	3128-07-2
Molecular Weight (g/mol)	144.17
MDL Number	MFCD00051479
SMILES	CC(=O)CCCCC(=O)O
Synonym	5-acetylvaleric acid,heptanoic acid, 6-oxo,5-aceto valeric acid,6-oxo-heptanoic acid,unii-4u902i8qzo,5-acetylvalericacid,6-oxoenanthic acid,6-ketoheptanoic acid,5-acetylpentanoic acid,#
IUPAC Name	6-oxoheptanoic acid
InChI Key	IZOQMUVIDMLRDC-UHFFFAOYSA-N
Molecular Formula	C7H12O3

160

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Ethyl valerate, 98%

CAS: 539-82-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00009479 InChI Key: ICMAFTSLXCXHRK-UHFFFAOYSA-N Synonym: ethyl valerate,ethyl n-valerate,pentanoic acid, ethyl ester,valeric acid, ethyl ester,ethylvalerate,ethyl valerianate,pentanoic acid ethyl ester,n-valeric acid ethyl ester,valeric acid, ethyl ester 8ci,fema no. 2462 PubChem CID: 10882 IUPAC Name: ethyl pentanoate SMILES: CCCCC(=O)OCC

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PubChem CID	10882
CAS	539-82-2
Molecular Weight (g/mol)	130.187
MDL Number	MFCD00009479
SMILES	CCCCC(=O)OCC
Synonym	ethyl valerate,ethyl n-valerate,pentanoic acid, ethyl ester,valeric acid, ethyl ester,ethylvalerate,ethyl valerianate,pentanoic acid ethyl ester,n-valeric acid ethyl ester,valeric acid, ethyl ester 8ci,fema no. 2462
IUPAC Name	ethyl pentanoate
InChI Key	ICMAFTSLXCXHRK-UHFFFAOYSA-N
Molecular Formula	C7H14O2

161

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Ethyl dimethylpyruvate, 97%

CAS: 20201-24-5 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009122 InChI Key: CKTYYUQUWFEUCO-UHFFFAOYSA-N Synonym: ethyl 3-methyl-2-oxobutyrate,ethyl dimethylpyruvate,ethyl 2-oxo-3-methylbutanoate,butanoic acid, 3-methyl-2-oxo-, ethyl ester,acmc-20akzg,ketovaline ethyl ester,pubchem18179,ethyl3-methyl-2-oxobutanoate,ethyl 2-methyl-2-oxobutyrate,ethyl-3-methyl-2-oxobutanoate PubChem CID: 88406 IUPAC Name: ethyl 3-methyl-2-oxobutanoate SMILES: CCOC(=O)C(=O)C(C)C

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Specifications

PubChem CID	88406
CAS	20201-24-5
Molecular Weight (g/mol)	144.17
MDL Number	MFCD00009122
SMILES	CCOC(=O)C(=O)C(C)C
Synonym	ethyl 3-methyl-2-oxobutyrate,ethyl dimethylpyruvate,ethyl 2-oxo-3-methylbutanoate,butanoic acid, 3-methyl-2-oxo-, ethyl ester,acmc-20akzg,ketovaline ethyl ester,pubchem18179,ethyl3-methyl-2-oxobutanoate,ethyl 2-methyl-2-oxobutyrate,ethyl-3-methyl-2-oxobutanoate
IUPAC Name	ethyl 3-methyl-2-oxobutanoate
InChI Key	CKTYYUQUWFEUCO-UHFFFAOYSA-N
Molecular Formula	C7H12O3

162

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Ethyl 4-acetyl-5-oxohexanoate, 98%

CAS: 2832-10-2 MDL Number: MFCD00009211

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Specifications

CAS	2832-10-2
MDL Number	MFCD00009211

163

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Ethyl 4-acetylbutyrate, 97%

CAS: 13984-57-1 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00009213 InChI Key: MGPSIDGTLFKDEY-UHFFFAOYSA-N Synonym: ethyl 4-acetylbutyrate,hexanoic acid, 5-oxo-, ethyl ester,5-oxohexanoic acid ethyl ester,ethyl 4-acetylbutanoate,ethyl 4-acetyl-butanoate,ethyl 4-acetyl-butyrate,acmc-1c2gr,5-oxo-hexanoic acid ethyl ester,mgpsidgtlfkdey-uhfffaoysa PubChem CID: 84130 IUPAC Name: ethyl 5-oxohexanoate SMILES: CCOC(=O)CCCC(=O)C

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PubChem CID	84130
CAS	13984-57-1
Molecular Weight (g/mol)	158.197
MDL Number	MFCD00009213
SMILES	CCOC(=O)CCCC(=O)C
Synonym	ethyl 4-acetylbutyrate,hexanoic acid, 5-oxo-, ethyl ester,5-oxohexanoic acid ethyl ester,ethyl 4-acetylbutanoate,ethyl 4-acetyl-butanoate,ethyl 4-acetyl-butyrate,acmc-1c2gr,5-oxo-hexanoic acid ethyl ester,mgpsidgtlfkdey-uhfffaoysa
IUPAC Name	ethyl 5-oxohexanoate
InChI Key	MGPSIDGTLFKDEY-UHFFFAOYSA-N
Molecular Formula	C8H14O3

164

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tert-Butyl pivalate, 98%

CAS: 16474-43-4 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.24 MDL Number: MFCD01861974 InChI Key: VXHFNALHLRWIIU-UHFFFAOYSA-N PubChem CID: 519272 IUPAC Name: tert-butyl 2,2-dimethylpropanoate SMILES: CC(C)(C)OC(=O)C(C)(C)C

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PubChem CID	519272
CAS	16474-43-4
Molecular Weight (g/mol)	158.24
MDL Number	MFCD01861974
SMILES	CC(C)(C)OC(=O)C(C)(C)C
IUPAC Name	tert-butyl 2,2-dimethylpropanoate
InChI Key	VXHFNALHLRWIIU-UHFFFAOYSA-N
Molecular Formula	C9H18O2

165

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1H-Pyrazole-3-carboxylic acid, 97%

CAS: 1621-91-6 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00077436 InChI Key: KOPFEFZSAMLEHK-UHFFFAOYSA-N Synonym: 1h-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid,2h-pyrazole-3-carboxylic acid,5-pyrazolecarboxylic acid,3-pyrazolecarboxylic acid,3-carboxy-1h-pyrazole,pyrazolic acid,pyrazolecarboxylic,3-carboxypyrazole,2h-pyrazole-3-carboxylicacid PubChem CID: 574310 IUPAC Name: 1H-pyrazole-5-carboxylic acid SMILES: OC(=O)C1=CC=NN1

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Specifications

PubChem CID	574310
CAS	1621-91-6
Molecular Weight (g/mol)	112.09
MDL Number	MFCD00077436
SMILES	OC(=O)C1=CC=NN1
Synonym	1h-pyrazole-3-carboxylic acid,pyrazole-3-carboxylic acid,2h-pyrazole-3-carboxylic acid,5-pyrazolecarboxylic acid,3-pyrazolecarboxylic acid,3-carboxy-1h-pyrazole,pyrazolic acid,pyrazolecarboxylic,3-carboxypyrazole,2h-pyrazole-3-carboxylicacid
IUPAC Name	1H-pyrazole-5-carboxylic acid
InChI Key	KOPFEFZSAMLEHK-UHFFFAOYSA-N
Molecular Formula	C4H4N2O2

Monocarboxylic acids and derivatives

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