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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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 PubChem CID: 1032 ChEBI: CHEBI:30768 Nom de l’IUPAC: propanoic acid SOURIRES: CCC(=O)O

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

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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 PubChem CID: 31272 ChEBI: CHEBI:31328 Nom de l’IUPAC: butyl acetate SOURIRES: CCCCOC(C)=O

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Poids moléculaire (g/mol)	116.16
PubChem CID	31272
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
Nom de l’IUPAC	butyl acetate
CAS	123-86-4
ChEBI	CHEBI:31328
Clé InChI	DKPFZGUDAPQIHT-UHFFFAOYSA-N
SOURIRES	CCCCOC(C)=O
Formule moléculaire	C6H12O2

Isopentyl butyrate, 98%

CAS: 106-27-4 Formule moléculaire: C9H18O2 Poids moléculaire (g/mol): 158.24 Numéro MDL: MFCD00044888 Clé InChI: PQLMXFQTAMDXIZ-UHFFFAOYSA-N Synonyme: 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 Nom de l’IUPAC: 3-methylbutyl butanoate SOURIRES: CCCC(=O)OCCC(C)C

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Poids moléculaire (g/mol)	158.24
PubChem CID	7795
Synonyme	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
Numéro MDL	MFCD00044888
Nom de l’IUPAC	3-methylbutyl butanoate
CAS	106-27-4
ChEBI	CHEBI:87422
Clé InChI	PQLMXFQTAMDXIZ-UHFFFAOYSA-N
SOURIRES	CCCC(=O)OCCC(C)C
Formule moléculaire	C9H18O2

Ethyl dodecanoate, 98%

CAS: 106-33-2 Formule moléculaire: C14H28O2 Poids moléculaire (g/mol): 228.38 Numéro MDL: MFCD00015065 Clé InChI: MMXKVMNBHPAILY-UHFFFAOYSA-N Synonyme: ethyl laurate,dodecanoic acid, ethyl ester,ethyl laurinate,ethyl dodecylate,lauric acid ethyl ester,lauric acid, ethyl ester,ethyl laurate natural,dodecanoic acid ethyl ester,ethyl n-dodecanote,unii-f389d4md5k PubChem CID: 7800 ChEBI: CHEBI:87427 Nom de l’IUPAC: ethyl dodecanoate SOURIRES: CCCCCCCCCCCC(=O)OCC

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Poids moléculaire (g/mol)	228.38
PubChem CID	7800
Synonyme	ethyl laurate,dodecanoic acid, ethyl ester,ethyl laurinate,ethyl dodecylate,lauric acid ethyl ester,lauric acid, ethyl ester,ethyl laurate natural,dodecanoic acid ethyl ester,ethyl n-dodecanote,unii-f389d4md5k
Numéro MDL	MFCD00015065
Nom de l’IUPAC	ethyl dodecanoate
CAS	106-33-2
ChEBI	CHEBI:87427
Clé InChI	MMXKVMNBHPAILY-UHFFFAOYSA-N
SOURIRES	CCCCCCCCCCCC(=O)OCC
Formule moléculaire	C14H28O2

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 PubChem CID: 137479 Nom de l’IUPAC: ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate SOURIRES: CCOC(=O)C1=C(C(=C(N1)C)C)C

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Poids moléculaire (g/mol)	181.235
PubChem CID	137479
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
Nom de l’IUPAC	ethyl 3,4,5-trimethyl-1H-pyrrole-2-carboxylate
CAS	2199-46-4
Clé InChI	WBOGFZDTCIQHSX-UHFFFAOYSA-N
SOURIRES	CCOC(=O)C1=C(C(=C(N1)C)C)C
Formule moléculaire	C10H15NO2

Ethyl 2-methyl-4-pentenoate, 98%

CAS: 53399-81-8 Formule moléculaire: C8H14O2 Poids moléculaire (g/mol): 142.20 Numéro MDL: MFCD00010235 Clé InChI: BDBGKYIBDXAVMX-UHFFFAOYNA-N Synonyme: 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 Nom de l’IUPAC: ethyl 2-methylpent-4-enoate SOURIRES: CCOC(=O)C(C)CC=C

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Poids moléculaire (g/mol)	142.20
PubChem CID	62024
Synonyme	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
Numéro MDL	MFCD00010235
Nom de l’IUPAC	ethyl 2-methylpent-4-enoate
CAS	53399-81-8
Clé InChI	BDBGKYIBDXAVMX-UHFFFAOYNA-N
SOURIRES	CCOC(=O)C(C)CC=C
Formule moléculaire	C8H14O2

Cyclopentanecarboxylic acid, 99%

CAS: 3400-45-1 Formule moléculaire: C6H10O2 Poids moléculaire (g/mol): 114.144 Numéro MDL: MFCD00001371 Clé InChI: JBDSSBMEKXHSJF-UHFFFAOYSA-N Synonyme: cyclopentane carboxylic acid,cyclopentylcarboxylic acid,cyclopentancarboxylic acid,cyclopentanoic acid,unii-z6691vh94a,cyclopentylmethanoic acid,pubchem14153,carboxycyclopentane,cyclopentyl carboxylic acid,acmc-209i4g PubChem CID: 18840 Nom de l’IUPAC: cyclopentanecarboxylic acid SOURIRES: C1CCC(C1)C(=O)O

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Poids moléculaire (g/mol)	114.144
PubChem CID	18840
Synonyme	cyclopentane carboxylic acid,cyclopentylcarboxylic acid,cyclopentancarboxylic acid,cyclopentanoic acid,unii-z6691vh94a,cyclopentylmethanoic acid,pubchem14153,carboxycyclopentane,cyclopentyl carboxylic acid,acmc-209i4g
Numéro MDL	MFCD00001371
Nom de l’IUPAC	cyclopentanecarboxylic acid
CAS	3400-45-1
Clé InChI	JBDSSBMEKXHSJF-UHFFFAOYSA-N
SOURIRES	C1CCC(C1)C(=O)O
Formule moléculaire	C6H10O2

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 PubChem CID: 78949 Nom de l’IUPAC: bicyclo[2.2.1]hept-2-ene-5-carboxylic acid SOURIRES: C1C2CC(C1C=C2)C(=O)O

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

Isobutyric anhydride, 97%

CAS: 97-72-3 Formule moléculaire: C₈H₁₄O₃ Poids moléculaire (g/mol): 158.2 Numéro MDL: MFCD00008913 Clé InChI: LSACYLWPPQLVSM-UHFFFAOYSA-N Synonyme: isobutyric anhydride,isobutyric acid anhydride,propanoic acid, 2-methyl-, anhydride,2-methylpropanoic anhydride,isobutyricanhydride,isobutyryl anhydride,2-methylpropionic anhydride,unii-n85a80fjdt,n85a80fjdt,2-methylpropanoic acid anhydride PubChem CID: 7346 ChEBI: CHEBI:84261 Nom de l’IUPAC: 2-methylpropanoyl 2-methylpropanoate SOURIRES: CC(C)C(=O)OC(=O)C(C)C

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Poids moléculaire (g/mol)	158.2
PubChem CID	7346
Synonyme	isobutyric anhydride,isobutyric acid anhydride,propanoic acid, 2-methyl-, anhydride,2-methylpropanoic anhydride,isobutyricanhydride,isobutyryl anhydride,2-methylpropionic anhydride,unii-n85a80fjdt,n85a80fjdt,2-methylpropanoic acid anhydride
Numéro MDL	MFCD00008913
Nom de l’IUPAC	2-methylpropanoyl 2-methylpropanoate
CAS	97-72-3
ChEBI	CHEBI:84261
Clé InChI	LSACYLWPPQLVSM-UHFFFAOYSA-N
SOURIRES	CC(C)C(=O)OC(=O)C(C)C
Formule moléculaire	C₈H₁₄O₃

tert-Butyl cyanoacetate, 98%

CAS: 1116-98-9 Formule moléculaire: C7H11NO2 Poids moléculaire (g/mol): 141.17 Numéro MDL: MFCD00001938 Clé InChI: BFNYNEMRWHFIMR-UHFFFAOYSA-N Synonyme: tert-butyl cyanoacetate,t-butyl cyanoacetate,acetic acid, cyano-, 1,1-dimethylethyl ester,cyanoacetic acid tert-butyl ester,acetic acid, cyano-, tert-butyl ester,acetic acid, 2-cyano-, 1,1-dimethylethyl ester,tert-butylcyanacetat,t-butylcyanoacetate,tert-butylcyanoacetate,tert butyl cyanoacetate PubChem CID: 70693 Nom de l’IUPAC: tert-butyl 2-cyanoacetate SOURIRES: CC(C)(C)OC(=O)CC#N

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Poids moléculaire (g/mol)	141.17
PubChem CID	70693
Synonyme	tert-butyl cyanoacetate,t-butyl cyanoacetate,acetic acid, cyano-, 1,1-dimethylethyl ester,cyanoacetic acid tert-butyl ester,acetic acid, cyano-, tert-butyl ester,acetic acid, 2-cyano-, 1,1-dimethylethyl ester,tert-butylcyanacetat,t-butylcyanoacetate,tert-butylcyanoacetate,tert butyl cyanoacetate
Numéro MDL	MFCD00001938
Nom de l’IUPAC	tert-butyl 2-cyanoacetate
CAS	1116-98-9
Clé InChI	BFNYNEMRWHFIMR-UHFFFAOYSA-N
SOURIRES	CC(C)(C)OC(=O)CC#N
Formule moléculaire	C7H11NO2

Ethyl L(-)-lactate, 97%

CAS: 687-47-8 Formule moléculaire: C₅H₁₀O₃ Poids moléculaire (g/mol): 118.13 Numéro MDL: MFCD00004518 Clé InChI: LZCLXQDLBQLTDK-BYPYZUCNSA-N Synonyme: ethyl l-lactate,ethyl 2s-2-hydroxypropanoate,l-ethyl lactate,l---ethyl lactate,ethyl l--lactate,ethyl s-2-hydroxypropionate,ethyl l---lactate,s-ethyl lactate,propanoic acid, 2-hydroxy-, ethyl ester, 2s PubChem CID: 92831 ChEBI: CHEBI:78322 Nom de l’IUPAC: ethyl (2S)-2-hydroxypropanoate SOURIRES: CCOC(=O)C(C)O

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Poids moléculaire (g/mol)	118.13
PubChem CID	92831
Synonyme	ethyl l-lactate,ethyl 2s-2-hydroxypropanoate,l-ethyl lactate,l---ethyl lactate,ethyl l--lactate,ethyl s-2-hydroxypropionate,ethyl l---lactate,s-ethyl lactate,propanoic acid, 2-hydroxy-, ethyl ester, 2s
Numéro MDL	MFCD00004518
Nom de l’IUPAC	ethyl (2S)-2-hydroxypropanoate
CAS	687-47-8
ChEBI	CHEBI:78322
Clé InChI	LZCLXQDLBQLTDK-BYPYZUCNSA-N
SOURIRES	CCOC(=O)C(C)O
Formule moléculaire	C₅H₁₀O₃

1-Phenyl-1-cyclopropanecarboxylic acid, 97%

CAS: 6120-95-2 Formule moléculaire: C₁₀H₁₀O₂ Poids moléculaire (g/mol): 162.19 Numéro MDL: MFCD00001288 Clé InChI: IWWCCNVRNHTGLV-UHFFFAOYSA-N Synonyme: 1-phenylcyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-phenyl,1-phenyl-cyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylicacid,pubchem15554,acmc-1b2kn,phenylcyclopropanecarboxylic acid,1-phenyl-cyclopropanecarboxlic acid,1-phenylcyclo-propanecarboxylic acid PubChem CID: 80206 Nom de l’IUPAC: 1-phenylcyclopropane-1-carboxylic acid SOURIRES: C1CC1(C2=CC=CC=C2)C(=O)O

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Poids moléculaire (g/mol)	162.19
PubChem CID	80206
Synonyme	1-phenylcyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylic acid,cyclopropanecarboxylic acid, 1-phenyl,1-phenyl-cyclopropanecarboxylic acid,1-phenyl-1-cyclopropanecarboxylicacid,pubchem15554,acmc-1b2kn,phenylcyclopropanecarboxylic acid,1-phenyl-cyclopropanecarboxlic acid,1-phenylcyclo-propanecarboxylic acid
Numéro MDL	MFCD00001288
Nom de l’IUPAC	1-phenylcyclopropane-1-carboxylic acid
CAS	6120-95-2
Clé InChI	IWWCCNVRNHTGLV-UHFFFAOYSA-N
SOURIRES	C1CC1(C2=CC=CC=C2)C(=O)O
Formule moléculaire	C₁₀H₁₀O₂

Ethyl butyrate, 99%

CAS: 105-54-4 Formule moléculaire: C6H12O2 Poids moléculaire (g/mol): 116.16 Numéro MDL: MFCD00009394 Clé InChI: OBNCKNCVKJNDBV-UHFFFAOYSA-N Synonyme: ethyl butyrate,butyric acid ethyl ester,ethyl n-butyrate,butanoic acid, ethyl ester,butyric ester,butyric ether,butyric acid, ethyl ester,ethyl n-butanoate,butanoic acid ethyl ester,fema number 2427 PubChem CID: 7762 Nom de l’IUPAC: ethyl butanoate SOURIRES: CCCC(=O)OCC

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Poids moléculaire (g/mol)	116.16
PubChem CID	7762
Synonyme	ethyl butyrate,butyric acid ethyl ester,ethyl n-butyrate,butanoic acid, ethyl ester,butyric ester,butyric ether,butyric acid, ethyl ester,ethyl n-butanoate,butanoic acid ethyl ester,fema number 2427
Numéro MDL	MFCD00009394
Nom de l’IUPAC	ethyl butanoate
CAS	105-54-4
Clé InChI	OBNCKNCVKJNDBV-UHFFFAOYSA-N
SOURIRES	CCCC(=O)OCC
Formule moléculaire	C6H12O2

4-Cyanophenylacetic acid, 97%

CAS: 5462-71-5 Formule moléculaire: C9H7NO2 Poids moléculaire (g/mol): 161.16 Numéro MDL: MFCD06798066 Clé InChI: WEBXRQONNWEETE-UHFFFAOYSA-N Synonyme: 2-4-cyanophenyl acetic acid,4-cyanophenylacetic acid,4-cyanophenyl acetic acid,benzeneacetic acid, 4-cyano,4-cyano-phenyl-acetic acid,p-cyanophenylacetic acid,4-cyanobenzeneacetic acid,p-cyanophenyl acetic acid,acetic acid, p-cyanophenyl PubChem CID: 79587 Nom de l’IUPAC: 2-(4-cyanophenyl)acetic acid SOURIRES: OC(=O)CC1=CC=C(C=C1)C#N

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Poids moléculaire (g/mol)	161.16
PubChem CID	79587
Synonyme	2-4-cyanophenyl acetic acid,4-cyanophenylacetic acid,4-cyanophenyl acetic acid,benzeneacetic acid, 4-cyano,4-cyano-phenyl-acetic acid,p-cyanophenylacetic acid,4-cyanobenzeneacetic acid,p-cyanophenyl acetic acid,acetic acid, p-cyanophenyl
Numéro MDL	MFCD06798066
Nom de l’IUPAC	2-(4-cyanophenyl)acetic acid
CAS	5462-71-5
Clé InChI	WEBXRQONNWEETE-UHFFFAOYSA-N
SOURIRES	OC(=O)CC1=CC=C(C=C1)C#N
Formule moléculaire	C9H7NO2

Trimethylacetic acid, 99%

CAS: 75-98-9 Formule moléculaire: C5H10O2 Poids moléculaire (g/mol): 102.133 Numéro MDL: MFCD00004194 Clé InChI: IUGYQRQAERSCNH-UHFFFAOYSA-N Synonyme: pivalic acid,trimethylacetic acid,neopentanoic acid,2,2-dimethylpropionic acid,tert-pentanoic acid,propanoic acid, 2,2-dimethyl,versatic 5,kyselina pivalova,acetic acid, trimethyl,alpha,alpha-dimethylpropionic acid PubChem CID: 6417 ChEBI: CHEBI:45133 Nom de l’IUPAC: 2,2-dimethylpropanoic acid SOURIRES: CC(C)(C)C(=O)O

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Poids moléculaire (g/mol)	102.133
PubChem CID	6417
Synonyme	pivalic acid,trimethylacetic acid,neopentanoic acid,2,2-dimethylpropionic acid,tert-pentanoic acid,propanoic acid, 2,2-dimethyl,versatic 5,kyselina pivalova,acetic acid, trimethyl,alpha,alpha-dimethylpropionic acid
Numéro MDL	MFCD00004194
Nom de l’IUPAC	2,2-dimethylpropanoic acid
CAS	75-98-9
ChEBI	CHEBI:45133
Clé InChI	IUGYQRQAERSCNH-UHFFFAOYSA-N
SOURIRES	CC(C)(C)C(=O)O
Formule moléculaire	C5H10O2

Monocarboxylic acids and derivatives

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