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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n-Butyl Acetate (Reagent), Fisher Chemical™

CAS: 123-86-4 Formule moléculaire: C6H12O2 Poids moléculaire (g/mol): 116.16 Numéro MDL: MFCD00009445 Clé InChI: DKPFZGUDAPQIHT-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 31272 ChEBI: CHEBI:31328 Nom IUPAC: butyl acetate SMILES: CCCCOC(C)=O

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Poids moléculaire (g/mol)	116.16
Synonyme	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
Numéro MDL	MFCD00009445
CAS	123-86-4
CID PubChem	31272
ChEBI	CHEBI:31328
Nom IUPAC	butyl acetate
Clé InChI	DKPFZGUDAPQIHT-UHFFFAOYSA-N
SMILES	CCCCOC(C)=O
Formule moléculaire	C6H12O2

Propionic Acid (Certified ACS), Fisher Chemical

CAS: 79-09-4 Formule moléculaire: C3H6O2 Poids moléculaire (g/mol): 74.079 Numéro MDL: MFCD00002756 Clé InChI: XBDQKXXYIPTUBI-UHFFFAOYSA-N Synonyme: propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin CID PubChem: 1032 ChEBI: CHEBI:30768 Nom IUPAC: propanoic acid SMILES: CCC(=O)O

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Poids moléculaire (g/mol)	74.079
Synonyme	propionic acid,ethylformic acid,methylacetic acid,carboxyethane,ethanecarboxylic acid,pseudoacetic acid,metacetonic acid,monoprop,luprosil,prozoin
Numéro MDL	MFCD00002756
CAS	79-09-4
CID PubChem	1032
ChEBI	CHEBI:30768
Nom IUPAC	propanoic acid
Clé InChI	XBDQKXXYIPTUBI-UHFFFAOYSA-N
SMILES	CCC(=O)O
Formule moléculaire	C3H6O2

m-Tolylacetic acid, 97%

CAS: 621-36-3 Formule moléculaire: C9H10O2 Poids moléculaire (g/mol): 150.18 Numéro MDL: MFCD00004340 Clé InChI: GJMPSRSMBJLKKB-UHFFFAOYSA-N Synonyme: 3-methylphenylacetic acid,m-tolylacetic acid,2-m-tolyl acetic acid,2-3-methylphenyl acetic acid,3-tolylacetic acid,m-methylphenylacetic acid,3-methylphenyl acetic acid,m-tolylaceticacid,benzeneacetic acid, 3-methyl,methyll 3-methylphenylacetate CID PubChem: 12121 Nom IUPAC: 2-(3-methylphenyl)acetic acid SMILES: CC1=CC=CC(CC(O)=O)=C1

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Poids moléculaire (g/mol)	150.18
Synonyme	3-methylphenylacetic acid,m-tolylacetic acid,2-m-tolyl acetic acid,2-3-methylphenyl acetic acid,3-tolylacetic acid,m-methylphenylacetic acid,3-methylphenyl acetic acid,m-tolylaceticacid,benzeneacetic acid, 3-methyl,methyll 3-methylphenylacetate
Numéro MDL	MFCD00004340
CAS	621-36-3
CID PubChem	12121
Nom IUPAC	2-(3-methylphenyl)acetic acid
Clé InChI	GJMPSRSMBJLKKB-UHFFFAOYSA-N
SMILES	CC1=CC=CC(CC(O)=O)=C1
Formule moléculaire	C9H10O2

n-Propyl decanoate, 98%

CAS: 30673-60-0 Formule moléculaire: C13H26O2 Poids moléculaire (g/mol): 214.349 Numéro MDL: MFCD00056329 Clé InChI: OVFMRFMJVFDSAA-UHFFFAOYSA-N Synonyme: n-propyl decanoate,decanoic acid, propyl ester,propyl caprate,capric acid propyl ester,unii-s0he9grs1w,decanoic acid, propylester,s0he9grs1w,propyl caprate natural,propyl caprate decanoate,n-propyldecanoate CID PubChem: 121739 ChEBI: CHEBI:86973 Nom IUPAC: propyl decanoate SMILES: CCCCCCCCCC(=O)OCCC

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Poids moléculaire (g/mol)	214.349
Synonyme	n-propyl decanoate,decanoic acid, propyl ester,propyl caprate,capric acid propyl ester,unii-s0he9grs1w,decanoic acid, propylester,s0he9grs1w,propyl caprate natural,propyl caprate decanoate,n-propyldecanoate
Numéro MDL	MFCD00056329
CAS	30673-60-0
CID PubChem	121739
ChEBI	CHEBI:86973
Nom IUPAC	propyl decanoate
Clé InChI	OVFMRFMJVFDSAA-UHFFFAOYSA-N
SMILES	CCCCCCCCCC(=O)OCCC
Formule moléculaire	C13H26O2

Ethyl indole-2-carboxylate, 98+%

CAS: 3770-50-1 Formule moléculaire: C11H11NO2 Poids moléculaire (g/mol): 189.21 Numéro MDL: MFCD00005609 Clé InChI: QQXQAEWRSVZPJM-UHFFFAOYSA-N Synonyme: ethyl indole-2-carboxylate,indole-2-carboxylic acid ethyl ester,2-carbethoxyindole,1h-indole-2-carboxylic acid, ethyl ester,indole-2-carboxylic acid, ethyl ester,1h-indole-2-carboxylic acid ethyl ester,ethylindole-2-carboxylate,ethyl 2-indolecarboxylate,1h-indole-2-carboxylic acid,ethyl ester,2-carboethoxyindole CID PubChem: 73125 Nom IUPAC: ethyl 1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=CC=CC=C2N1

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Poids moléculaire (g/mol)	189.21
Synonyme	ethyl indole-2-carboxylate,indole-2-carboxylic acid ethyl ester,2-carbethoxyindole,1h-indole-2-carboxylic acid, ethyl ester,indole-2-carboxylic acid, ethyl ester,1h-indole-2-carboxylic acid ethyl ester,ethylindole-2-carboxylate,ethyl 2-indolecarboxylate,1h-indole-2-carboxylic acid,ethyl ester,2-carboethoxyindole
Numéro MDL	MFCD00005609
CAS	3770-50-1
CID PubChem	73125
Nom IUPAC	ethyl 1H-indole-2-carboxylate
Clé InChI	QQXQAEWRSVZPJM-UHFFFAOYSA-N
SMILES	CCOC(=O)C1=CC2=CC=CC=C2N1
Formule moléculaire	C11H11NO2

Cyclopentylacetic acid, 97%

CAS: 1123-00-8 Formule moléculaire: C7H12O2 Poids moléculaire (g/mol): 128.17 Numéro MDL: MFCD00001387 Clé InChI: YVHAIVPPUIZFBA-UHFFFAOYSA-N Synonyme: cyclopentylacetic acid,cyclopentaneacetic acid,cycylopentylacetic acid,carboxymethyl cyclopentane,cyclopentyl acetic acid,cyclopentyacetic acid,cyclopentanacetic acid,cyclopentyl-acetic acid,2-cyclopentylaceticacid,cyclopentane acetic acid CID PubChem: 71606 Nom IUPAC: 2-cyclopentylacetic acid SMILES: OC(=O)CC1CCCC1

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Poids moléculaire (g/mol)	128.17
Synonyme	cyclopentylacetic acid,cyclopentaneacetic acid,cycylopentylacetic acid,carboxymethyl cyclopentane,cyclopentyl acetic acid,cyclopentyacetic acid,cyclopentanacetic acid,cyclopentyl-acetic acid,2-cyclopentylaceticacid,cyclopentane acetic acid
Numéro MDL	MFCD00001387
CAS	1123-00-8
CID PubChem	71606
Nom IUPAC	2-cyclopentylacetic acid
Clé InChI	YVHAIVPPUIZFBA-UHFFFAOYSA-N
SMILES	OC(=O)CC1CCCC1
Formule moléculaire	C7H12O2

Ethyl 3,4,5-trimethylpyrrole-2-carboxylate, 98%

CAS: 2199-46-4 Formule moléculaire: C10H15NO2 Poids moléculaire (g/mol): 181.235 Numéro MDL: MFCD00051948 Clé InChI: WBOGFZDTCIQHSX-UHFFFAOYSA-N Synonyme: ethyl 3,4,5-trimethylpyrrole-2-carboxylate,1h-pyrrole-2-carboxylic acid, 3,4,5-trimethyl-, ethyl ester,ethyl 3,4,5-trimethyl-2-pyrrolecarboxylate,1h-pyrrole-2-carboxylic acid, 3,4,5-trimethyl, ethyl ester,acmc-20al0b,maybridge1_001943,2,3,4-trimethyl-5-carbethoxy-pyrrole,3,4,5-trimethylpyrrole-2-carboxylic acid ethyl ester,pyrrole-2-carboxylic acid, 3,4,5-trimethyl-, ethyl ester,1h-pyrrole-2-carboxylicacid, 3,4,5-trimethyl-, ethyl ester CID PubChem: 137479 Nom IUPAC: ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate SMILES: CCOC(=O)C1=C(C(=C(N1)C)C)C

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Poids moléculaire (g/mol)	181.235
Synonyme	ethyl 3,4,5-trimethylpyrrole-2-carboxylate,1h-pyrrole-2-carboxylic acid, 3,4,5-trimethyl-, ethyl ester,ethyl 3,4,5-trimethyl-2-pyrrolecarboxylate,1h-pyrrole-2-carboxylic acid, 3,4,5-trimethyl, ethyl ester,acmc-20al0b,maybridge1_001943,2,3,4-trimethyl-5-carbethoxy-pyrrole,3,4,5-trimethylpyrrole-2-carboxylic acid ethyl ester,pyrrole-2-carboxylic acid, 3,4,5-trimethyl-, ethyl ester,1h-pyrrole-2-carboxylicacid, 3,4,5-trimethyl-, ethyl ester
Numéro MDL	MFCD00051948
CAS	2199-46-4
CID PubChem	137479
Nom IUPAC	ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate
Clé InChI	WBOGFZDTCIQHSX-UHFFFAOYSA-N
SMILES	CCOC(=O)C1=C(C(=C(N1)C)C)C
Formule moléculaire	C10H15NO2

3-(tert-Butyl)-1-methyl-1H-pyrazole-carboxylic acid, 95%

CAS: 175277-11-9 Formule moléculaire: C₉H₁₄N₂O₂ Poids moléculaire (g/mol): 182.22 Clé InChI: SFSXXMXHJOSBAZ-UHFFFAOYSA-N Synonyme: 3-tert-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,3-tert-butyl-1-methylpyrazole-5-carboxylic acid,5-tert-butyl-2-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 3-1,1-dimethylethyl-1-methyl,3-t-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,maybridge1_008671,acmc-1bzn5,butylmethylpyrazolecarboxylicacid CID PubChem: 720529 Nom IUPAC: 5-tert-butyl-2-methylpyrazole-3-carboxylic acid SMILES: CC(C)(C)C1=NN(C(=C1)C(=O)O)C

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Poids moléculaire (g/mol)	182.22
Synonyme	3-tert-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,3-tert-butyl-1-methylpyrazole-5-carboxylic acid,5-tert-butyl-2-methyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 3-1,1-dimethylethyl-1-methyl,3-t-butyl-1-methyl-1h-pyrazole-5-carboxylic acid,maybridge1_008671,acmc-1bzn5,butylmethylpyrazolecarboxylicacid
CAS	175277-11-9
CID PubChem	720529
Nom IUPAC	5-tert-butyl-2-methylpyrazole-3-carboxylic acid
Clé InChI	SFSXXMXHJOSBAZ-UHFFFAOYSA-N
SMILES	CC(C)(C)C1=NN(C(=C1)C(=O)O)C
Formule moléculaire	C₉H₁₄N₂O₂

1-(Mercaptomethyl)cyclopropaneacetic acid, 98%, Thermo Scientific™

CAS: 162515-68-6 Formule moléculaire: C6H10O2S Poids moléculaire (g/mol): 146.204 Numéro MDL: MFCD03411600 Clé InChI: VFAXPOVKNPTBTM-UHFFFAOYSA-N Synonyme: 2-1-mercaptomethyl cyclopropyl acetic acid,1-mercaptomethyl cyclopropaneacetic acid,1-mercaptomethyl cyclopropylacetic acid,1-mercaptomethyl-cyclopropaneacetic acid,unii-1x00t93wyx,cyclopropaneacetic acid, 1-mercaptomethyl,2-1-sulfanylmethyl cyclopropyl acetic acid,1-mercaptomethyl cyclopropyl acetic acid,1-sulfanylmethyl cyclopropyl acetic acid CID PubChem: 9793825 Nom IUPAC: 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid SMILES: C1CC1(CC(=O)O)CS

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Poids moléculaire (g/mol)	146.204
Synonyme	2-1-mercaptomethyl cyclopropyl acetic acid,1-mercaptomethyl cyclopropaneacetic acid,1-mercaptomethyl cyclopropylacetic acid,1-mercaptomethyl-cyclopropaneacetic acid,unii-1x00t93wyx,cyclopropaneacetic acid, 1-mercaptomethyl,2-1-sulfanylmethyl cyclopropyl acetic acid,1-mercaptomethyl cyclopropyl acetic acid,1-sulfanylmethyl cyclopropyl acetic acid
Numéro MDL	MFCD03411600
CAS	162515-68-6
CID PubChem	9793825
Nom IUPAC	2-[1-(sulfanylmethyl)cyclopropyl]acetic acid
Clé InChI	VFAXPOVKNPTBTM-UHFFFAOYSA-N
SMILES	C1CC1(CC(=O)O)CS
Formule moléculaire	C6H10O2S

Ethyl 3-pyridylacetate, 99%

CAS: 39931-77-6 Formule moléculaire: C₉H₁₁NO₂ Poids moléculaire (g/mol): 165.19 Numéro MDL: MFCD00006411 Clé InChI: RPWXYCRIAGBAGY-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 96490 Nom IUPAC: ethyl 2-pyridin-3-ylacetate SMILES: CCOC(=O)CC1=CN=CC=C1

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Poids moléculaire (g/mol)	165.19
Synonyme	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
Numéro MDL	MFCD00006411
CAS	39931-77-6
CID PubChem	96490
Nom IUPAC	ethyl 2-pyridin-3-ylacetate
Clé InChI	RPWXYCRIAGBAGY-UHFFFAOYSA-N
SMILES	CCOC(=O)CC1=CN=CC=C1
Formule moléculaire	C₉H₁₁NO₂

5-Norbornene-2-carboxylic acid, predominantly endo isomer, 97%

CAS: 120-74-1 Formule moléculaire: C8H10O2 Poids moléculaire (g/mol): 138.166 Numéro MDL: MFCD00085356 Clé InChI: FYGUSUBEMUKACF-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 78949 Nom IUPAC: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid SMILES: C1C2CC(C1C=C2)C(=O)O

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Poids moléculaire (g/mol)	138.166
Synonyme	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
Numéro MDL	MFCD00085356
CAS	120-74-1
CID PubChem	78949
Nom IUPAC	bicyclo[2.2.1]hept-2-ene-5-carboxylic acid
Clé InChI	FYGUSUBEMUKACF-UHFFFAOYSA-N
SMILES	C1C2CC(C1C=C2)C(=O)O
Formule moléculaire	C8H10O2

Ethyl formate, 98+%, pure

CAS: 109-94-4 Formule moléculaire: C3H6O2 Poids moléculaire (g/mol): 74.08 Numéro MDL: MFCD00003294 Clé InChI: WBJINCZRORDGAQ-UHFFFAOYSA-N Synonyme: areginal,formic acid, ethyl ester,ethyl methanoate,formic acid ethyl ester,aethylformiat,ethyl formic ester,ethylformate,ethylformiaat,formic ether,ethylformiat CID PubChem: 8025 ChEBI: CHEBI:52342 Nom IUPAC: ethyl formate SMILES: CCOC=O

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Poids moléculaire (g/mol)	74.08
Synonyme	areginal,formic acid, ethyl ester,ethyl methanoate,formic acid ethyl ester,aethylformiat,ethyl formic ester,ethylformate,ethylformiaat,formic ether,ethylformiat
Numéro MDL	MFCD00003294
CAS	109-94-4
CID PubChem	8025
ChEBI	CHEBI:52342
Nom IUPAC	ethyl formate
Clé InChI	WBJINCZRORDGAQ-UHFFFAOYSA-N
SMILES	CCOC=O
Formule moléculaire	C3H6O2

Zinc acetate, anhydrous, 99.9+%

CAS: 557-34-6 Formule moléculaire: C4H6O4Zn Poids moléculaire (g/mol): 183.468 Numéro MDL: MFCD00012454 Clé InChI: DJWUNCQRNNEAKC-UHFFFAOYSA-L Synonyme: zinc acetate,zinc diacetate,zinc ii acetate,acetic acid, zinc salt,dicarbomethoxyzinc,acetic acid, zinc ii salt,zinc di acetate,galzin,zinc acetate anhydrous,siltex cl 4 CID PubChem: 11192 ChEBI: CHEBI:62984 Nom IUPAC: zinc;diacetate SMILES: CC(=O)[O-].CC(=O)[O-].[Zn+2]

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Poids moléculaire (g/mol)	183.468
Synonyme	zinc acetate,zinc diacetate,zinc ii acetate,acetic acid, zinc salt,dicarbomethoxyzinc,acetic acid, zinc ii salt,zinc di acetate,galzin,zinc acetate anhydrous,siltex cl 4
Numéro MDL	MFCD00012454
CAS	557-34-6
CID PubChem	11192
ChEBI	CHEBI:62984
Nom IUPAC	zinc;diacetate
Clé InChI	DJWUNCQRNNEAKC-UHFFFAOYSA-L
SMILES	CC(=O)[O-].CC(=O)[O-].[Zn+2]
Formule moléculaire	C4H6O4Zn

3-(4-Nitrophenyl)propionic acid, 96%

CAS: 16642-79-8 Formule moléculaire: C9H9NO4 Poids moléculaire (g/mol): 195.17 Numéro MDL: MFCD00126834 Clé InChI: VZOPVJNBOQOLPN-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 85526 Nom IUPAC: 3-(4-nitrophenyl)propanoic acid SMILES: OC(=O)CCC1=CC=C(C=C1)[N+]([O-])=O

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Poids moléculaire (g/mol)	195.17
Synonyme	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
Numéro MDL	MFCD00126834
CAS	16642-79-8
CID PubChem	85526
Nom IUPAC	3-(4-nitrophenyl)propanoic acid
Clé InChI	VZOPVJNBOQOLPN-UHFFFAOYSA-N
SMILES	OC(=O)CCC1=CC=C(C=C1)[N+]([O-])=O
Formule moléculaire	C9H9NO4

Ethyl decanoate, 99%

CAS: 110-38-3 Formule moléculaire: C12H24O2 Poids moléculaire (g/mol): 200.322 Numéro MDL: MFCD00009581 Clé InChI: RGXWDWUGBIJHDO-UHFFFAOYSA-N Synonyme: ethyl caprate,ethyl caprinate,ethyl decylate,decanoic acid ethyl ester,decanoic acid, ethyl ester,capric acid ethyl ester,ethyl n-decanoate,capric acid, ethyl ester,natural,unii-gy39fb86uo CID PubChem: 8048 ChEBI: CHEBI:87430 Nom IUPAC: ethyl decanoate SMILES: CCCCCCCCCC(=O)OCC

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Poids moléculaire (g/mol)	200.322
Synonyme	ethyl caprate,ethyl caprinate,ethyl decylate,decanoic acid ethyl ester,decanoic acid, ethyl ester,capric acid ethyl ester,ethyl n-decanoate,capric acid, ethyl ester,natural,unii-gy39fb86uo
Numéro MDL	MFCD00009581
CAS	110-38-3
CID PubChem	8048
ChEBI	CHEBI:87430
Nom IUPAC	ethyl decanoate
Clé InChI	RGXWDWUGBIJHDO-UHFFFAOYSA-N
SMILES	CCCCCCCCCC(=O)OCC
Formule moléculaire	C12H24O2

Monocarboxylic acids and derivatives

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