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 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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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

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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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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

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3-Methyl-1H-pyrazole-5-carboxylic acid, 97%

CAS: 402-61-9 Molecular Formula: C5H6N2O2 Molecular Weight (g/mol): 126.115 MDL Number: MFCD00462235 InChI Key: WSMQKESQZFQMFW-UHFFFAOYSA-N Synonym: 3-methyl-1h-pyrazole-5-carboxylic acid,5-methylpyrazole-3-carboxylic acid,5-methyl-2h-pyrazole-3-carboxylic acid,3-methylpyrazole-5-carboxylic acid,1h-pyrazole-3-carboxylicacid, 5-methyl,5-methylpyrazole-3-carboxylicacid,3-methyl-1h-pyrazole-5-carboxylicacid,pyrazole-3-carboxylic acid, 5-methyl,pubchem7842,5-methyl-2h-pyrazole-3-carboxylicacid PubChem CID: 9822 ChEBI: CHEBI:74739 IUPAC Name: 5-methyl-1H-pyrazole-3-carboxylic acid SMILES: CC1=CC(=NN1)C(=O)O

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PubChem CID	9822
CAS	402-61-9
Molecular Weight (g/mol)	126.115
ChEBI	CHEBI:74739
MDL Number	MFCD00462235
SMILES	CC1=CC(=NN1)C(=O)O
Synonym	3-methyl-1h-pyrazole-5-carboxylic acid,5-methylpyrazole-3-carboxylic acid,5-methyl-2h-pyrazole-3-carboxylic acid,3-methylpyrazole-5-carboxylic acid,1h-pyrazole-3-carboxylicacid, 5-methyl,5-methylpyrazole-3-carboxylicacid,3-methyl-1h-pyrazole-5-carboxylicacid,pyrazole-3-carboxylic acid, 5-methyl,pubchem7842,5-methyl-2h-pyrazole-3-carboxylicacid
IUPAC Name	5-methyl-1H-pyrazole-3-carboxylic acid
InChI Key	WSMQKESQZFQMFW-UHFFFAOYSA-N
Molecular Formula	C5H6N2O2

Isopropyl acetate, 99+%, pure

CAS: 108-21-4 MDL Number: MFCD00008877 InChI Key: JMMWKPVZQRWMSS-UHFFFAOYSA-N Synonym: isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester PubChem CID: 7915 IUPAC Name: propan-2-yl acetate SMILES: CC(C)OC(=O)C

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Specifications

PubChem CID	7915
CAS	108-21-4
MDL Number	MFCD00008877
SMILES	CC(C)OC(=O)C
Synonym	isopropyl acetate,2-propyl acetate,2-acetoxypropane,acetic acid, 1-methylethyl ester,isopropyl ethanoate,isopropylacetat,paracetat,isopropylacetaat,1-methylethyl acetate,acetic acid, isopropyl ester
IUPAC Name	propan-2-yl acetate
InChI Key	JMMWKPVZQRWMSS-UHFFFAOYSA-N

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4-Biphenylacetic acid, 98%

CAS: 5728-52-9 MDL Number: MFCD00004351 InChI Key: QRZAKQDHEVVFRX-UHFFFAOYSA-N Synonym: 4-biphenylacetic acid,felbinac,4-biphenylylacetic acid,traxam,dolinac,4-carboxymethylbiphenyl,napageln,2-4-phenylphenyl acetic acid,p-biphenylylacetic acid,1,1'-biphenyl-4-acetic acid PubChem CID: 3332 ChEBI: CHEBI:31597 IUPAC Name: 2-(4-phenylphenyl)acetic acid SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O

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Specifications

PubChem CID	3332
CAS	5728-52-9
ChEBI	CHEBI:31597
MDL Number	MFCD00004351
SMILES	C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)O
Synonym	4-biphenylacetic acid,felbinac,4-biphenylylacetic acid,traxam,dolinac,4-carboxymethylbiphenyl,napageln,2-4-phenylphenyl acetic acid,p-biphenylylacetic acid,1,1'-biphenyl-4-acetic acid
IUPAC Name	2-(4-phenylphenyl)acetic acid
InChI Key	QRZAKQDHEVVFRX-UHFFFAOYSA-N

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2,2-Dimethylbutyric acid, 97%

CAS: 595-37-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00004200 InChI Key: VUAXHMVRKOTJKP-UHFFFAOYSA-N Synonym: 2,2-dimethylbutyric acid,butanoic acid, 2,2-dimethyl,2,2-dimethyl-butanoic acid,2,2-dimethyl butyric acid,2,2-dimethyl butanoic acid,unii-ay606cn05o,butyric acid, 2,2-dimethyl,dimethyl ethyl acetic acid,2,2-dimethyl-butyric acid,.alpha.,.alpha.-dimethylbutyric acid PubChem CID: 11684 ChEBI: CHEBI:38649 IUPAC Name: 2,2-dimethylbutanoic acid SMILES: CCC(C)(C)C(=O)O

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Specifications

PubChem CID	11684
CAS	595-37-9
Molecular Weight (g/mol)	116.16
ChEBI	CHEBI:38649
MDL Number	MFCD00004200
SMILES	CCC(C)(C)C(=O)O
Synonym	2,2-dimethylbutyric acid,butanoic acid, 2,2-dimethyl,2,2-dimethyl-butanoic acid,2,2-dimethyl butyric acid,2,2-dimethyl butanoic acid,unii-ay606cn05o,butyric acid, 2,2-dimethyl,dimethyl ethyl acetic acid,2,2-dimethyl-butyric acid,.alpha.,.alpha.-dimethylbutyric acid
IUPAC Name	2,2-dimethylbutanoic acid
InChI Key	VUAXHMVRKOTJKP-UHFFFAOYSA-N
Molecular Formula	C6H12O2

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Propyl propionate, 98+%

CAS: 106-36-5 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009373 InChI Key: MCSINKKTEDDPNK-UHFFFAOYSA-N Synonym: propyl propionate,n-propyl propionate,propanoic acid, propyl ester,n-propyl propanoate,propionic acid, propyl ester,n-propyl n-propionate,propylester kyseliny propionove,unii-g09trv00gk,propyl propionate natural,propionic acid n-propyl ester PubChem CID: 7803 IUPAC Name: propyl propanoate SMILES: CCCOC(=O)CC

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PubChem CID	7803
CAS	106-36-5
Molecular Weight (g/mol)	116.16
MDL Number	MFCD00009373
SMILES	CCCOC(=O)CC
Synonym	propyl propionate,n-propyl propionate,propanoic acid, propyl ester,n-propyl propanoate,propionic acid, propyl ester,n-propyl n-propionate,propylester kyseliny propionove,unii-g09trv00gk,propyl propionate natural,propionic acid n-propyl ester
IUPAC Name	propyl propanoate
InChI Key	MCSINKKTEDDPNK-UHFFFAOYSA-N
Molecular Formula	C6H12O2

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3-Cyclohexene-1-carboxylic acid, 98%

CAS: 4771-80-6 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.155 MDL Number: MFCD00013781 InChI Key: VUSWCWPCANWBFG-UHFFFAOYSA-N Synonym: 3-cyclohexene-1-carboxylic acid,3-cyclohexenecarboxylic acid,cyclohex-3-enecarboxylic acid,1,2,3,6-tetrahydrobenzoic acid,1-cyclohexene-4-carboxylic acid,delta3-cyclohexenylcarboxylic acid,kyselina 1,2,5,6-tetrahydrobenzoova,3-cyclohexene carboxylic acid,kyselina 1,2,5,6-tetrahydrobenzoova czech,.delta.3-cyclohexenecarboxylic acid PubChem CID: 20903 IUPAC Name: cyclohex-3-ene-1-carboxylic acid SMILES: C1CC(CC=C1)C(=O)O

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PubChem CID	20903
CAS	4771-80-6
Molecular Weight (g/mol)	126.155
MDL Number	MFCD00013781
SMILES	C1CC(CC=C1)C(=O)O
Synonym	3-cyclohexene-1-carboxylic acid,3-cyclohexenecarboxylic acid,cyclohex-3-enecarboxylic acid,1,2,3,6-tetrahydrobenzoic acid,1-cyclohexene-4-carboxylic acid,delta3-cyclohexenylcarboxylic acid,kyselina 1,2,5,6-tetrahydrobenzoova,3-cyclohexene carboxylic acid,kyselina 1,2,5,6-tetrahydrobenzoova czech,.delta.3-cyclohexenecarboxylic acid
IUPAC Name	cyclohex-3-ene-1-carboxylic acid
InChI Key	VUSWCWPCANWBFG-UHFFFAOYSA-N
Molecular Formula	C7H10O2

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3-(2-Fluorophenyl)propionic acid, 96%

CAS: 1643-26-1 Molecular Formula: C9H9FO2 Molecular Weight (g/mol): 168.167 MDL Number: MFCD01310820 InChI Key: GUZLQEOSDXLCKX-UHFFFAOYSA-N PubChem CID: 2063866 IUPAC Name: 3-(2-fluorophenyl)propanoic acid SMILES: C1=CC=C(C(=C1)CCC(=O)O)F

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PubChem CID	2063866
CAS	1643-26-1
Molecular Weight (g/mol)	168.167
MDL Number	MFCD01310820
SMILES	C1=CC=C(C(=C1)CCC(=O)O)F
IUPAC Name	3-(2-fluorophenyl)propanoic acid
InChI Key	GUZLQEOSDXLCKX-UHFFFAOYSA-N
Molecular Formula	C9H9FO2

Antimony(III) acetate, 97%

CAS: 6923-52-0 Molecular Formula: C6H9O6Sb Molecular Weight (g/mol): 298.892 MDL Number: MFCD00014974 InChI Key: JVLRYPRBKSMEBF-UHFFFAOYSA-K Synonym: antimony triacetate,antimony iii acetate,antimony acetate,acetic acid, antimony 3+ salt,octan antimonity czech,antimony 3+ triacetate,acetic acid, antimony 3+ salt 3:1,acetic acid, trianhydride with antimonic acid h3sbo3,acetic acid, antimony salt,octan antimonity PubChem CID: 23354 IUPAC Name: antimony(3+);triacetate SMILES: CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Sb+3]

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PubChem CID	23354
CAS	6923-52-0
Molecular Weight (g/mol)	298.892
MDL Number	MFCD00014974
SMILES	CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Sb+3]
Synonym	antimony triacetate,antimony iii acetate,antimony acetate,acetic acid, antimony 3+ salt,octan antimonity czech,antimony 3+ triacetate,acetic acid, antimony 3+ salt 3:1,acetic acid, trianhydride with antimonic acid h3sbo3,acetic acid, antimony salt,octan antimonity
IUPAC Name	antimony(3+);triacetate
InChI Key	JVLRYPRBKSMEBF-UHFFFAOYSA-K
Molecular Formula	C6H9O6Sb

Zinc acetate dihydrate, 97+%

CAS: 5970-45-6 Molecular Formula: C4H10O6Zn MDL Number: MFCD00066961 InChI Key: BEAZKUGSCHFXIQ-UHFFFAOYSA-L Synonym: zinc acetate dihydrate,zinc diacetate dihydrate,zinc ii acetate dihydrate,unii-fm5526k07a,acetic acid zinc salt,zinc acetate usp,acetic acid, zinc salt, dihydrate,zinc acetate, dihydrate,galzin tn PubChem CID: 2724192 IUPAC Name: zinc;diacetate;dihydrate

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PubChem CID	2724192
CAS	5970-45-6
MDL Number	MFCD00066961
Synonym	zinc acetate dihydrate,zinc diacetate dihydrate,zinc ii acetate dihydrate,unii-fm5526k07a,acetic acid zinc salt,zinc acetate usp,acetic acid, zinc salt, dihydrate,zinc acetate, dihydrate,galzin tn
IUPAC Name	zinc;diacetate;dihydrate
InChI Key	BEAZKUGSCHFXIQ-UHFFFAOYSA-L
Molecular Formula	C4H10O6Zn

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Ethyl trimethylacetate, 99%

CAS: 3938-95-2 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00009129 InChI Key: HHEIMYAXCOIQCJ-UHFFFAOYSA-N Synonym: ethyl trimethylacetate,ethyl pivalate,propanoic acid, 2,2-dimethyl-, ethyl ester,ethyl 2,2-dimethylpropionate,pivalic acid, ethyl ester,ethylpivalate,trimethylacetic acid, ethyl ester,unii-738s62lzwy,ethyltrimethylacetate,2,2-dimethylpropanoic acid ethyl ester PubChem CID: 19838 IUPAC Name: ethyl 2,2-dimethylpropanoate SMILES: CCOC(=O)C(C)(C)C

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PubChem CID	19838
CAS	3938-95-2
Molecular Weight (g/mol)	130.187
MDL Number	MFCD00009129
SMILES	CCOC(=O)C(C)(C)C
Synonym	ethyl trimethylacetate,ethyl pivalate,propanoic acid, 2,2-dimethyl-, ethyl ester,ethyl 2,2-dimethylpropionate,pivalic acid, ethyl ester,ethylpivalate,trimethylacetic acid, ethyl ester,unii-738s62lzwy,ethyltrimethylacetate,2,2-dimethylpropanoic acid ethyl ester
IUPAC Name	ethyl 2,2-dimethylpropanoate
InChI Key	HHEIMYAXCOIQCJ-UHFFFAOYSA-N
Molecular Formula	C7H14O2

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Isovaleric acid, 98%

CAS: 503-74-2 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.13 MDL Number: MFCD00002726 InChI Key: GWYFCOCPABKNJV-UHFFFAOYSA-N Synonym: isovaleric acid,isopentanoic acid,3-methylbutyric acid,delphinic acid,isopropylacetic acid,butanoic acid, 3-methyl,isovalerianic acid,isobutylformic acid,3-methylbutyrate,beta-methylbutyric acid PubChem CID: 10430 ChEBI: CHEBI:28484 IUPAC Name: 3-methylbutanoic acid SMILES: CC(C)CC(O)=O

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Specifications

PubChem CID	10430
CAS	503-74-2
Molecular Weight (g/mol)	102.13
ChEBI	CHEBI:28484
MDL Number	MFCD00002726
SMILES	CC(C)CC(O)=O
Synonym	isovaleric acid,isopentanoic acid,3-methylbutyric acid,delphinic acid,isopropylacetic acid,butanoic acid, 3-methyl,isovalerianic acid,isobutylformic acid,3-methylbutyrate,beta-methylbutyric acid
IUPAC Name	3-methylbutanoic acid
InChI Key	GWYFCOCPABKNJV-UHFFFAOYSA-N
Molecular Formula	C5H10O2

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4-Acetylbutyric acid, 97%

CAS: 3128-06-1 Molecular Formula: C6H10O3 Molecular Weight (g/mol): 130.14 MDL Number: MFCD00004412 InChI Key: MGTZCLMLSSAXLD-UHFFFAOYSA-N Synonym: 4-acetylbutyric acid,5-ketohexanoic acid,hexanoic acid, 5-oxo,5-ketocaproic acid,5-oxo-hexanoic acid,4-acetylbutyricacid,5-keto-n-caproic acid,5-oxocaproic acid,delta-oxocaproic acid,delta-ketocaproic acid ChEBI: CHEBI:15888

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CAS	3128-06-1
Molecular Weight (g/mol)	130.14
ChEBI	CHEBI:15888
MDL Number	MFCD00004412
Synonym	4-acetylbutyric acid,5-ketohexanoic acid,hexanoic acid, 5-oxo,5-ketocaproic acid,5-oxo-hexanoic acid,4-acetylbutyricacid,5-keto-n-caproic acid,5-oxocaproic acid,delta-oxocaproic acid,delta-ketocaproic acid
InChI Key	MGTZCLMLSSAXLD-UHFFFAOYSA-N
Molecular Formula	C6H10O3

Trifluoroacetic anhydride, 99+%

CAS: 407-25-0 Molecular Formula: C4F6O3 Molecular Weight (g/mol): 210.03 MDL Number: MFCD00000416 InChI Key: QAEDZJGFFMLHHQ-UHFFFAOYSA-N Synonym: trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove PubChem CID: 9845 IUPAC Name: (2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate SMILES: FC(F)(F)C(=O)OC(=O)C(F)(F)F

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Specifications

PubChem CID	9845
CAS	407-25-0
Molecular Weight (g/mol)	210.03
MDL Number	MFCD00000416
SMILES	FC(F)(F)C(=O)OC(=O)C(F)(F)F
Synonym	trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove
IUPAC Name	(2,2,2-trifluoroacetyl) 2,2,2-trifluoroacetate
InChI Key	QAEDZJGFFMLHHQ-UHFFFAOYSA-N
Molecular Formula	C4F6O3

Monocarboxylic acids and derivatives

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