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.

136 – 150 of 2,472 results

136

Isopropyl cyanoacetate, 97%

CAS: 13361-30-3 Molecular Formula: C6H9NO2 Molecular Weight (g/mol): 127.143 MDL Number: MFCD00019842 InChI Key: BESQLCCRQYTQQI-UHFFFAOYSA-N Synonym: isopropyl cyanoacetate,isopropyl 2-cyanoacetate,cyanoacetic acid isopropyl ester,acetic acid, cyano-, isopropyl ester,unii-0v3mgi9xma,0v3mgi9xma,acetic acid, cyano-, 1-methylethyl ester,propan-2-yl cyanoacetate,prop-2-yl cyanoacetate,acmc-1bsph PubChem CID: 25917 IUPAC Name: propan-2-yl 2-cyanoacetate SMILES: CC(C)OC(=O)CC#N

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Specifications

PubChem CID	25917
CAS	13361-30-3
Molecular Weight (g/mol)	127.143
MDL Number	MFCD00019842
SMILES	CC(C)OC(=O)CC#N
Synonym	isopropyl cyanoacetate,isopropyl 2-cyanoacetate,cyanoacetic acid isopropyl ester,acetic acid, cyano-, isopropyl ester,unii-0v3mgi9xma,0v3mgi9xma,acetic acid, cyano-, 1-methylethyl ester,propan-2-yl cyanoacetate,prop-2-yl cyanoacetate,acmc-1bsph
IUPAC Name	propan-2-yl 2-cyanoacetate
InChI Key	BESQLCCRQYTQQI-UHFFFAOYSA-N
Molecular Formula	C6H9NO2

137

Barium acetate, 99%

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138

1-Naphthylacetic acid, 95%, may cont. up to 5% 2-isomer

CAS: 86-87-3 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00004046 InChI Key: PRPINYUDVPFIRX-UHFFFAOYSA-N Synonym: 1-naphthylacetic acid,1-naphthaleneacetic acid,2-naphthalen-1-yl acetic acid,naphthalene-1-acetic acid,transplantone,phyomone,planofix,1-naphthalene acetic acid,fruitone n,stop-drop PubChem CID: 6862 ChEBI: CHEBI:32918 IUPAC Name: 2-naphthalen-1-ylacetic acid SMILES: OC(=O)CC1=C2C=CC=CC2=CC=C1

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Specifications

PubChem CID	6862
CAS	86-87-3
Molecular Weight (g/mol)	186.21
ChEBI	CHEBI:32918
MDL Number	MFCD00004046
SMILES	OC(=O)CC1=C2C=CC=CC2=CC=C1
Synonym	1-naphthylacetic acid,1-naphthaleneacetic acid,2-naphthalen-1-yl acetic acid,naphthalene-1-acetic acid,transplantone,phyomone,planofix,1-naphthalene acetic acid,fruitone n,stop-drop
IUPAC Name	2-naphthalen-1-ylacetic acid
InChI Key	PRPINYUDVPFIRX-UHFFFAOYSA-N
Molecular Formula	C12H10O2

139

n-Butyl acetate, Semiconductor Grade, 99% min

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

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Specifications

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

140

Butyl Acetate, puriss. p.a., ACS Reagent, ≥99.5% (GC), Honeywell Riedel-de Haën™

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Specifications

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

141

Isopropyl Myristate, B&J Brand™, for sterility testing of ophthalmic ointments, Honeywell Burdick & Jackson

CAS: 110-27-0 Molecular Formula: C17H34O2 Molecular Weight (g/mol): 270.457 InChI Key: AXISYYRBXTVTFY-UHFFFAOYSA-N Synonym: isopropyl myristate,isopropyl tetradecanoate,estergel,bisomel,isomyst,promyr,tetradecanoic acid, 1-methylethyl ester,deltyl extra,kesscomir,tegester PubChem CID: 8042 IUPAC Name: propan-2-yl tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)OC(C)C

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Specifications

PubChem CID	8042
CAS	110-27-0
Molecular Weight (g/mol)	270.457
SMILES	CCCCCCCCCCCCCC(=O)OC(C)C
Synonym	isopropyl myristate,isopropyl tetradecanoate,estergel,bisomel,isomyst,promyr,tetradecanoic acid, 1-methylethyl ester,deltyl extra,kesscomir,tegester
IUPAC Name	propan-2-yl tetradecanoate
InChI Key	AXISYYRBXTVTFY-UHFFFAOYSA-N
Molecular Formula	C17H34O2

142

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

143

5-Norbornene-2-carboxylic acid, 98%, mixture of endo and exo

CAS: 120-74-1 Molecular Formula: C₈H₁₀O₂ Molecular Weight (g/mol): 138.16 InChI Key: FYGUSUBEMUKACF-UHFFFAOYSA-N Synonym: 5-norbornene-2-carboxylic acid,bicyclo 2.2.1 hept-5-ene-2-carboxylic acid,norbornenecarboxylic acid,exo-5-norbornene-2-carboxylic acid,5-norbornene-2-carboxylic acid, exo,5-norbornene-2-carboxylic acid 8ci,bicyclo 2.2.1 hept-2-ene-5-carboxylic acid,bicyclo 2.2.1-5-heptene-2-carboxylic acid,norborn-5-ene-2-carboxylic acid PubChem CID: 78949 IUPAC Name: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid SMILES: C1C2CC(C1C=C2)C(=O)O

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Specifications

PubChem CID	78949
CAS	120-74-1
Molecular Weight (g/mol)	138.16
SMILES	C1C2CC(C1C=C2)C(=O)O
Synonym	5-norbornene-2-carboxylic acid,bicyclo 2.2.1 hept-5-ene-2-carboxylic acid,norbornenecarboxylic acid,exo-5-norbornene-2-carboxylic acid,5-norbornene-2-carboxylic acid, exo,5-norbornene-2-carboxylic acid 8ci,bicyclo 2.2.1 hept-2-ene-5-carboxylic acid,bicyclo 2.2.1-5-heptene-2-carboxylic acid,norborn-5-ene-2-carboxylic acid
IUPAC Name	bicyclo[2.2.1]hept-2-ene-5-carboxylic acid
InChI Key	FYGUSUBEMUKACF-UHFFFAOYSA-N
Molecular Formula	C₈H₁₀O₂

144

3-(4-Fluorophenyl)propionic acid, 97%

CAS: 459-31-4 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.167 MDL Number: MFCD00060327 InChI Key: ZMKXWDPUXLPHCA-UHFFFAOYSA-N Synonym: 3-4-fluorophenyl propionic acid,3-4-fluorophenyl propanoic acid,benzenepropanoic acid, 4-fluoro,3-4-fluoro-phenyl-propionic acid,3-4-fluorophenyl propionicacid,3-4'-fluorophenyl propanoic acid,acmc-1aehu,4-fluorohydrocinnamic acid,4-fluorophenylpropionic acid,4-fluorobenzenepropanoic acid PubChem CID: 136302 IUPAC Name: 3-(4-fluorophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)F

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Specifications

PubChem CID	136302
CAS	459-31-4
Molecular Weight (g/mol)	168.167
MDL Number	MFCD00060327
SMILES	C1=CC(=CC=C1CCC(=O)O)F
Synonym	3-4-fluorophenyl propionic acid,3-4-fluorophenyl propanoic acid,benzenepropanoic acid, 4-fluoro,3-4-fluoro-phenyl-propionic acid,3-4-fluorophenyl propionicacid,3-4'-fluorophenyl propanoic acid,acmc-1aehu,4-fluorohydrocinnamic acid,4-fluorophenylpropionic acid,4-fluorobenzenepropanoic acid
IUPAC Name	3-(4-fluorophenyl)propanoic acid
InChI Key	ZMKXWDPUXLPHCA-UHFFFAOYSA-N
Molecular Formula	C9H9FO2

145

Ethyl 5-methylindole-2-carboxylate, 98%

CAS: 16382-15-3 Molecular Formula: C12H13NO2 Molecular Weight (g/mol): 203.241 MDL Number: MFCD00022703 InChI Key: KMVFKXFOPNKHEM-UHFFFAOYSA-N Synonym: ethyl 5-methylindole-2-carboxylate,2-carbethoxy-5-methylindole,5-methylindole-2-carboxylic acid ethyl ester,5-methyl-1h-indole-2-carboxylic acid ethyl ester,pubchem7940,acmc-1brcs,5-methyl-2-ethoxycarbonyl indole,ethyl 5-methyl-2-indolecarboxylate,5-methyl-1h-indole-2-carboxylic acid, ethyl ester PubChem CID: 232919 IUPAC Name: ethyl 5-methyl-1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C

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Specifications

PubChem CID	232919
CAS	16382-15-3
Molecular Weight (g/mol)	203.241
MDL Number	MFCD00022703
SMILES	CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C
Synonym	ethyl 5-methylindole-2-carboxylate,2-carbethoxy-5-methylindole,5-methylindole-2-carboxylic acid ethyl ester,5-methyl-1h-indole-2-carboxylic acid ethyl ester,pubchem7940,acmc-1brcs,5-methyl-2-ethoxycarbonyl indole,ethyl 5-methyl-2-indolecarboxylate,5-methyl-1h-indole-2-carboxylic acid, ethyl ester
IUPAC Name	ethyl 5-methyl-1H-indole-2-carboxylate
InChI Key	KMVFKXFOPNKHEM-UHFFFAOYSA-N
Molecular Formula	C12H13NO2

146

2-Methylcyclopropanecarboxylic acid, cis + trans, 96%

CAS: 29555-02-0 Molecular Formula: C5H7O2 Molecular Weight (g/mol): 99.11 MDL Number: MFCD00001293 InChI Key: AYEGPMGNMOIHDL-IUYQGCFVSA-M Synonym: 2-methylcyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 2-methyl,2-methyl-1-cyclopropanecarboxylic acid,trans-2-methylcyclopropanecarboxylic acid,cis-2-methylcyclopropanecarboxylic acid,acmc-1cg8e,2-methyl-cyclopropanecarboxylic acid,2-methyl cyclopropane carboxylic acid,cyclopropanecarboxylicacid, 2-methyl PubChem CID: 99873 IUPAC Name: 2-methylcyclopropane-1-carboxylic acid SMILES: C[C@H]1C[C@H]1C([O-])=O

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Specifications

PubChem CID	99873
CAS	29555-02-0
Molecular Weight (g/mol)	99.11
MDL Number	MFCD00001293
SMILES	C[C@H]1C[C@H]1C([O-])=O
Synonym	2-methylcyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 2-methyl,2-methyl-1-cyclopropanecarboxylic acid,trans-2-methylcyclopropanecarboxylic acid,cis-2-methylcyclopropanecarboxylic acid,acmc-1cg8e,2-methyl-cyclopropanecarboxylic acid,2-methyl cyclopropane carboxylic acid,cyclopropanecarboxylicacid, 2-methyl
IUPAC Name	2-methylcyclopropane-1-carboxylic acid
InChI Key	AYEGPMGNMOIHDL-IUYQGCFVSA-M
Molecular Formula	C5H7O2

147

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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Specifications

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

148

3-(3,4-Difluorophenyl)propionic acid, 98%

CAS: 161712-75-0 Molecular Formula: C9H8F2O2 Molecular Weight (g/mol): 186.16 MDL Number: MFCD00799520 InChI Key: UOZIYCHJMUNLIG-UHFFFAOYSA-N Synonym: 3,4-difluorohydrocinnamic acid,3-3,4-difluorophenyl propanoic acid,3-3,4-difluorophenyl propionic acid,benzenepropanoic acid,3,4-difluoro,3-3,4-difluorophenyl-propionic acid,3,4-difluoro-benzenepropanoic acid,benzenepropanoic acid, 3,4-difluoro,acmc-1bx9z,3,4-difluorohydrocinnamicacid,benzenepropanoicacid,3,4-difluoro PubChem CID: 2778994 IUPAC Name: 3-(3,4-difluorophenyl)propanoic acid SMILES: OC(=O)CCC1=CC(F)=C(F)C=C1

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Specifications

PubChem CID	2778994
CAS	161712-75-0
Molecular Weight (g/mol)	186.16
MDL Number	MFCD00799520
SMILES	OC(=O)CCC1=CC(F)=C(F)C=C1
Synonym	3,4-difluorohydrocinnamic acid,3-3,4-difluorophenyl propanoic acid,3-3,4-difluorophenyl propionic acid,benzenepropanoic acid,3,4-difluoro,3-3,4-difluorophenyl-propionic acid,3,4-difluoro-benzenepropanoic acid,benzenepropanoic acid, 3,4-difluoro,acmc-1bx9z,3,4-difluorohydrocinnamicacid,benzenepropanoicacid,3,4-difluoro
IUPAC Name	3-(3,4-difluorophenyl)propanoic acid
InChI Key	UOZIYCHJMUNLIG-UHFFFAOYSA-N
Molecular Formula	C9H8F2O2

149

2-Methylvaleric acid, 98+%

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

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Specifications

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

150

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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Specifications

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

Monocarboxylic acids and derivatives

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