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 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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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

Propionic Acid (Certified ACS), Fisher Chemical

CAS: 79-09-4 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.079 MDL Number: MFCD00002756 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)	74.079
ChEBI	CHEBI:30768
MDL Number	MFCD00002756
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

Isopropyl palmitate, tech. 85%

CAS: 142-91-6 Molecular Formula: C19H38O2 Molecular Weight (g/mol): 298.51 MDL Number: MFCD00008993 InChI Key: XUGNVMKQXJXZCD-UHFFFAOYSA-N Synonym: isopropyl palmitate,isopropyl hexadecanoate,isopalm,deltyl,isopal,propal,deltyl prime,tegester isopalm,ja-fa ippkessco,sinnoester pit PubChem CID: 8907 ChEBI: CHEBI:84262 IUPAC Name: propan-2-yl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OC(C)C

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PubChem CID	8907
CAS	142-91-6
Molecular Weight (g/mol)	298.51
ChEBI	CHEBI:84262
MDL Number	MFCD00008993
SMILES	CCCCCCCCCCCCCCCC(=O)OC(C)C
Synonym	isopropyl palmitate,isopropyl hexadecanoate,isopalm,deltyl,isopal,propal,deltyl prime,tegester isopalm,ja-fa ippkessco,sinnoester pit
IUPAC Name	propan-2-yl hexadecanoate
InChI Key	XUGNVMKQXJXZCD-UHFFFAOYSA-N
Molecular Formula	C19H38O2

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

Ethyl formate, 97%

CAS: 109-94-4 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.08 MDL Number: MFCD00003294 InChI Key: WBJINCZRORDGAQ-UHFFFAOYSA-N Synonym: areginal,formic acid, ethyl ester,ethyl methanoate,formic acid ethyl ester,aethylformiat,ethyl formic ester,ethylformate,ethylformiaat,formic ether,ethylformiat PubChem CID: 8025 ChEBI: CHEBI:52342 IUPAC Name: ethyl formate SMILES: CCOC=O

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Specifications

PubChem CID	8025
CAS	109-94-4
Molecular Weight (g/mol)	74.08
ChEBI	CHEBI:52342
MDL Number	MFCD00003294
SMILES	CCOC=O
Synonym	areginal,formic acid, ethyl ester,ethyl methanoate,formic acid ethyl ester,aethylformiat,ethyl formic ester,ethylformate,ethylformiaat,formic ether,ethylformiat
IUPAC Name	ethyl formate
InChI Key	WBJINCZRORDGAQ-UHFFFAOYSA-N
Molecular Formula	C3H6O2

Ethyl 3-phenylpropionate, 98+%

CAS: 2021-28-5 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00009206 InChI Key: JAGZUIGGHGTFHO-UHFFFAOYSA-N Synonym: ethyl 3-phenylpropionate,ethyl hydrocinnamate,ethyl dihydrocinnamate,benzenepropanoic acid, ethyl ester,3-phenylpropionic acid ethyl ester,hydrocinnamic acid, ethyl ester,ethylhydrocinnamoate,ethyl benzenepropanoate,unii-58e9z9v64d,ethylphenyl propanoate PubChem CID: 16237 IUPAC Name: ethyl 3-phenylpropanoate SMILES: CCOC(=O)CCC1=CC=CC=C1

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Specifications

PubChem CID	16237
CAS	2021-28-5
Molecular Weight (g/mol)	178.231
MDL Number	MFCD00009206
SMILES	CCOC(=O)CCC1=CC=CC=C1
Synonym	ethyl 3-phenylpropionate,ethyl hydrocinnamate,ethyl dihydrocinnamate,benzenepropanoic acid, ethyl ester,3-phenylpropionic acid ethyl ester,hydrocinnamic acid, ethyl ester,ethylhydrocinnamoate,ethyl benzenepropanoate,unii-58e9z9v64d,ethylphenyl propanoate
IUPAC Name	ethyl 3-phenylpropanoate
InChI Key	JAGZUIGGHGTFHO-UHFFFAOYSA-N
Molecular Formula	C11H14O2

Ethyl butyrate, 99%

CAS: 105-54-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009394 InChI Key: OBNCKNCVKJNDBV-UHFFFAOYSA-N Synonym: 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 IUPAC Name: ethyl butanoate SMILES: CCCC(=O)OCC

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Specifications

PubChem CID	7762
CAS	105-54-4
Molecular Weight (g/mol)	116.16
MDL Number	MFCD00009394
SMILES	CCCC(=O)OCC
Synonym	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
IUPAC Name	ethyl butanoate
InChI Key	OBNCKNCVKJNDBV-UHFFFAOYSA-N
Molecular Formula	C6H12O2

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

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Specifications

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

2-Naphthylacetic acid, 99%

CAS: 581-96-4 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00004126 InChI Key: VIBOGIYPPWLDTI-UHFFFAOYSA-N Synonym: 2-naphthylacetic acid,2-naphthaleneacetic acid,2-naphthalen-2-yl acetic acid,betoxan,2-2-naphthyl acetic acid,beta-naphthylacetic acid,beta-naphthaleneacetic acid,beta-naphthaleneacetate,naphthalen-2-ylacetic acid,.beta.-naphthaleneacetic acid PubChem CID: 11393 ChEBI: CHEBI:37837 IUPAC Name: 2-naphthalen-2-ylacetic acid SMILES: OC(=O)CC1=CC=C2C=CC=CC2=C1

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Specifications

PubChem CID	11393
CAS	581-96-4
Molecular Weight (g/mol)	186.21
ChEBI	CHEBI:37837
MDL Number	MFCD00004126
SMILES	OC(=O)CC1=CC=C2C=CC=CC2=C1
Synonym	2-naphthylacetic acid,2-naphthaleneacetic acid,2-naphthalen-2-yl acetic acid,betoxan,2-2-naphthyl acetic acid,beta-naphthylacetic acid,beta-naphthaleneacetic acid,beta-naphthaleneacetate,naphthalen-2-ylacetic acid,.beta.-naphthaleneacetic acid
IUPAC Name	2-naphthalen-2-ylacetic acid
InChI Key	VIBOGIYPPWLDTI-UHFFFAOYSA-N
Molecular Formula	C12H10O2

Indole-2-carboxylic acid, 99%

CAS: 1477-50-5 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005611 InChI Key: HCUARRIEZVDMPT-UHFFFAOYSA-N Synonym: indole-2-carboxylic acid,2-carboxyindole,2-indolecarboxylic acid,indol-2-carboxylic acid,1h-indolecarboxylic acid,indole-2-carboxylate,2-indolylformic acid,2-indole carboxylic acid,1h-indol-2-carbons,carboxyindole PubChem CID: 72899 IUPAC Name: 1H-indole-2-carboxylic acid SMILES: OC(=O)C1=CC2=CC=CC=C2N1

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Specifications

PubChem CID	72899
CAS	1477-50-5
Molecular Weight (g/mol)	161.16
MDL Number	MFCD00005611
SMILES	OC(=O)C1=CC2=CC=CC=C2N1
Synonym	indole-2-carboxylic acid,2-carboxyindole,2-indolecarboxylic acid,indol-2-carboxylic acid,1h-indolecarboxylic acid,indole-2-carboxylate,2-indolylformic acid,2-indole carboxylic acid,1h-indol-2-carbons,carboxyindole
IUPAC Name	1H-indole-2-carboxylic acid
InChI Key	HCUARRIEZVDMPT-UHFFFAOYSA-N
Molecular Formula	C9H7NO2

1-Cyclohexene-1-acetic acid

CAS: 18294-87-6 Molecular Formula: C8H12O2 Molecular Weight (g/mol): 140.182 MDL Number: MFCD00015482 InChI Key: KDFBPHXESBPHTK-UHFFFAOYSA-N Synonym: 1-cyclohexenylacetic acid,1-cyclohexene-1-acetic acid,2-cyclohex-1-en-1-yl acetic acid,cyclohex-1-enylacetic acid,1-cyclohexene-1-aceticacid,2-cyclohexen-1-yl acetic acid,2-cyclohex-1-enylacetic acid,cyclohex-1-en-1-ylacetic acid,1-cyclohexenylacetate,cyclohexenylacetic acid PubChem CID: 86699 IUPAC Name: 2-(cyclohexen-1-yl)acetic acid SMILES: C1CCC(=CC1)CC(=O)O

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Specifications

PubChem CID	86699
CAS	18294-87-6
Molecular Weight (g/mol)	140.182
MDL Number	MFCD00015482
SMILES	C1CCC(=CC1)CC(=O)O
Synonym	1-cyclohexenylacetic acid,1-cyclohexene-1-acetic acid,2-cyclohex-1-en-1-yl acetic acid,cyclohex-1-enylacetic acid,1-cyclohexene-1-aceticacid,2-cyclohexen-1-yl acetic acid,2-cyclohex-1-enylacetic acid,cyclohex-1-en-1-ylacetic acid,1-cyclohexenylacetate,cyclohexenylacetic acid
IUPAC Name	2-(cyclohexen-1-yl)acetic acid
InChI Key	KDFBPHXESBPHTK-UHFFFAOYSA-N
Molecular Formula	C8H12O2

Ethyl acetopyruvate, 98%

CAS: 615-79-2 Molecular Formula: C7H10O4 Molecular Weight (g/mol): 158.15 MDL Number: MFCD00009124 InChI Key: OYQVQWIASIXXRT-UHFFFAOYSA-N PubChem CID: 69208 IUPAC Name: ethyl 2,4-dioxopentanoate SMILES: CCOC(=O)C(=O)CC(C)=O

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Specifications

PubChem CID	69208
CAS	615-79-2
Molecular Weight (g/mol)	158.15
MDL Number	MFCD00009124
SMILES	CCOC(=O)C(=O)CC(C)=O
IUPAC Name	ethyl 2,4-dioxopentanoate
InChI Key	OYQVQWIASIXXRT-UHFFFAOYSA-N
Molecular Formula	C7H10O4

PubChem CID	11393
CAS	581-96-4
Molecular Weight (g/mol)	186.21
ChEBI	CHEBI:37837
MDL Number	MFCD00004126
SMILES	OC(=O)CC1=CC=C2C=CC=CC2=C1
Synonym	2-naphthylacetic acid,2-naphthaleneacetic acid,2-naphthalen-2-yl acetic acid,betoxan,2-2-naphthyl acetic acid,beta-naphthylacetic acid,beta-naphthaleneacetic acid,beta-naphthaleneacetate,naphthalen-2-ylacetic acid,.beta.-naphthaleneacetic acid
IUPAC Name	2-naphthalen-2-ylacetic acid
InChI Key	VIBOGIYPPWLDTI-UHFFFAOYSA-N
Molecular Formula	C12H10O2

Cyclobutanecarboxylic acid, 97%

CAS: 3721-95-7 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00001323 InChI Key: TXWOGHSRPAYOML-UHFFFAOYSA-N Synonym: cyclobutylcarboxylic acid,cyclo-butyl formic acid,cyclobutane carboxylic acid,unii-0rdj7c51o0,pubchem14139,acmc-1cnqb,cyclobutan carboxylic acid,cyclobutyl carboxylic acid,cyclobutancecarboxylic acid,cyclobutane-carboxylic acid PubChem CID: 19494 IUPAC Name: cyclobutanecarboxylic acid SMILES: OC(=O)C1CCC1

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Specifications

PubChem CID	19494
CAS	3721-95-7
Molecular Weight (g/mol)	100.12
MDL Number	MFCD00001323
SMILES	OC(=O)C1CCC1
Synonym	cyclobutylcarboxylic acid,cyclo-butyl formic acid,cyclobutane carboxylic acid,unii-0rdj7c51o0,pubchem14139,acmc-1cnqb,cyclobutan carboxylic acid,cyclobutyl carboxylic acid,cyclobutancecarboxylic acid,cyclobutane-carboxylic acid
IUPAC Name	cyclobutanecarboxylic acid
InChI Key	TXWOGHSRPAYOML-UHFFFAOYSA-N
Molecular Formula	C5H8O2

Ethyl 4-pyridineacetate, 98%

CAS: 54401-85-3 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00051830 InChI Key: QVLJLWHOILVHJJ-UHFFFAOYSA-N Synonym: ethyl 4-pyridylacetate,ethyl 2-pyridin-4-yl acetate,ethyl pyridine-4-acetate,ethyl pyridin-4-ylacetate,4-pyridineacetic acid ethyl ester,4-pyridineacetic acid, ethyl ester,ethyl 2-4-pyridyl acetate,4-pyridylacetic acid ethyl ester,ethyl 4-pyridineacetate,ethyl-4-pyridylacetate PubChem CID: 736321 IUPAC Name: ethyl 2-pyridin-4-ylacetate SMILES: CCOC(=O)CC1=CC=NC=C1

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Specifications

PubChem CID	736321
CAS	54401-85-3
Molecular Weight (g/mol)	165.192
MDL Number	MFCD00051830
SMILES	CCOC(=O)CC1=CC=NC=C1
Synonym	ethyl 4-pyridylacetate,ethyl 2-pyridin-4-yl acetate,ethyl pyridine-4-acetate,ethyl pyridin-4-ylacetate,4-pyridineacetic acid ethyl ester,4-pyridineacetic acid, ethyl ester,ethyl 2-4-pyridyl acetate,4-pyridylacetic acid ethyl ester,ethyl 4-pyridineacetate,ethyl-4-pyridylacetate
IUPAC Name	ethyl 2-pyridin-4-ylacetate
InChI Key	QVLJLWHOILVHJJ-UHFFFAOYSA-N
Molecular Formula	C9H11NO2

Monocarboxylic acids and derivatives

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