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

Cyclohexanecarboxylic acid, 98%

CAS: 98-89-5 Molecular Formula: C₇H₁₂O₂ Molecular Weight (g/mol): 128.17 MDL Number: MFCD00001461 InChI Key: NZNMSOFKMUBTKW-UHFFFAOYSA-N Synonym: hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid PubChem CID: 7413 ChEBI: CHEBI:36096 IUPAC Name: cyclohexanecarboxylic acid SMILES: C1CCC(CC1)C(=O)O

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Specifications

PubChem CID	7413
CAS	98-89-5
Molecular Weight (g/mol)	128.17
ChEBI	CHEBI:36096
MDL Number	MFCD00001461
SMILES	C1CCC(CC1)C(=O)O
Synonym	hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid
IUPAC Name	cyclohexanecarboxylic acid
InChI Key	NZNMSOFKMUBTKW-UHFFFAOYSA-N
Molecular Formula	C₇H₁₂O₂

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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Specifications

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

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-hexenoate, 98%

CAS: 2396-83-0 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00036524 InChI Key: VTSFIPHRNAESED-AATRIKPKSA-N Synonym: ethyl 3-hexenoate,3-hexenoic acid, ethyl ester,ethyl hex-3-enoate,ethyl e-hex-3-enoate,3-hexenoic acid, ethyl ester, e,ethyl trans-3-hexenoate,ethyl e-3-hexenoate,e-3-hexenoic acid ethyl ester,ethyl hydrosorbate,3-hexenoic acid, ethyl ester, 3e PubChem CID: 5362622 IUPAC Name: ethyl (E)-hex-3-enoate SMILES: CCOC(=O)C\C=C\CC

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Specifications

PubChem CID	5362622
CAS	2396-83-0
Molecular Weight (g/mol)	142.20
MDL Number	MFCD00036524
SMILES	CCOC(=O)C\C=C\CC
Synonym	ethyl 3-hexenoate,3-hexenoic acid, ethyl ester,ethyl hex-3-enoate,ethyl e-hex-3-enoate,3-hexenoic acid, ethyl ester, e,ethyl trans-3-hexenoate,ethyl e-3-hexenoate,e-3-hexenoic acid ethyl ester,ethyl hydrosorbate,3-hexenoic acid, ethyl ester, 3e
IUPAC Name	ethyl (E)-hex-3-enoate
InChI Key	VTSFIPHRNAESED-AATRIKPKSA-N
Molecular Formula	C8H14O2

Ethyl 2,2-diethylacetoacetate, 97%

CAS: 1619-57-4 Molecular Formula: C10H18O3 Molecular Weight (g/mol): 186.251 MDL Number: MFCD00048552 InChI Key: WEIQRLLXVVSKIL-UHFFFAOYSA-N Synonym: ethyl 2,2-diethylacetoacetate,butanoic acid, 2,2-diethyl-3-oxo-, ethyl ester,diethyl acetoacetate,acmc-20al1q,acetoacetic acid, 2,2-diethyl-, ethyl ester,2,2-diethylacetoacetic acid ethyl ester,2-ethyl-2-acetylbutyric acid ethyl ester,2,2-diethyl-3-oxo-butyric acid ethyl ester,butanoic acid,2,2-diethyl-3-oxo-, ethyl ester PubChem CID: 538781 IUPAC Name: ethyl 2,2-diethyl-3-oxobutanoate SMILES: CCC(CC)(C(=O)C)C(=O)OCC

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Specifications

PubChem CID	538781
CAS	1619-57-4
Molecular Weight (g/mol)	186.251
MDL Number	MFCD00048552
SMILES	CCC(CC)(C(=O)C)C(=O)OCC
Synonym	ethyl 2,2-diethylacetoacetate,butanoic acid, 2,2-diethyl-3-oxo-, ethyl ester,diethyl acetoacetate,acmc-20al1q,acetoacetic acid, 2,2-diethyl-, ethyl ester,2,2-diethylacetoacetic acid ethyl ester,2-ethyl-2-acetylbutyric acid ethyl ester,2,2-diethyl-3-oxo-butyric acid ethyl ester,butanoic acid,2,2-diethyl-3-oxo-, ethyl ester
IUPAC Name	ethyl 2,2-diethyl-3-oxobutanoate
InChI Key	WEIQRLLXVVSKIL-UHFFFAOYSA-N
Molecular Formula	C10H18O3

3-(Methylthio)propionic acid, 98%

CAS: 646-01-5 Molecular Formula: C4H8O2S Molecular Weight (g/mol): 120.166 MDL Number: MFCD00059635 InChI Key: CAOMCZAIALVUPA-UHFFFAOYSA-N Synonym: 3-methylthio propionic acid,3-methylthiopropionate,3-methylthiopropionic acid,4-thiapentanoic acid,3-methylsulfanyl propanoic acid,propanoic acid, 3-methylthio,3-methylmercaptopropionic acid,unii-f523ali47d,3-methylthio propanoic acid,propionic acid, 3-methylthio PubChem CID: 563 ChEBI: CHEBI:1438 IUPAC Name: 3-methylsulfanylpropanoic acid SMILES: CSCCC(=O)O

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Specifications

PubChem CID	563
CAS	646-01-5
Molecular Weight (g/mol)	120.166
ChEBI	CHEBI:1438
MDL Number	MFCD00059635
SMILES	CSCCC(=O)O
Synonym	3-methylthio propionic acid,3-methylthiopropionate,3-methylthiopropionic acid,4-thiapentanoic acid,3-methylsulfanyl propanoic acid,propanoic acid, 3-methylthio,3-methylmercaptopropionic acid,unii-f523ali47d,3-methylthio propanoic acid,propionic acid, 3-methylthio
IUPAC Name	3-methylsulfanylpropanoic acid
InChI Key	CAOMCZAIALVUPA-UHFFFAOYSA-N
Molecular Formula	C4H8O2S

Ethyl tetradecanoate, 98%

CAS: 124-06-1 Molecular Formula: C16H32O2 Molecular Weight (g/mol): 256.43 MDL Number: MFCD00008984 InChI Key: MMKRHZKQPFCLLS-UHFFFAOYSA-N Synonym: ethyl myristate,tetradecanoic acid, ethyl ester,myristic acid ethyl ester,myristic acid, ethyl ester,ethylmyristate,ethyl n-tetradecanoate,ethyl myristate natural,fema no. 2445,tetradecanoic acid ethyl ester,ethyl ester tetradecanoic acid PubChem CID: 31283 ChEBI: CHEBI:84849 IUPAC Name: ethyl tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)OCC

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Specifications

PubChem CID	31283
CAS	124-06-1
Molecular Weight (g/mol)	256.43
ChEBI	CHEBI:84849
MDL Number	MFCD00008984
SMILES	CCCCCCCCCCCCCC(=O)OCC
Synonym	ethyl myristate,tetradecanoic acid, ethyl ester,myristic acid ethyl ester,myristic acid, ethyl ester,ethylmyristate,ethyl n-tetradecanoate,ethyl myristate natural,fema no. 2445,tetradecanoic acid ethyl ester,ethyl ester tetradecanoic acid
IUPAC Name	ethyl tetradecanoate
InChI Key	MMKRHZKQPFCLLS-UHFFFAOYSA-N
Molecular Formula	C16H32O2

Ethyl 5-n-propyl-1H-pyrazole-3-carboxylate, 98%

CAS: 92945-27-2 Molecular Formula: C9H14N2O2 Molecular Weight (g/mol): 182.223 MDL Number: MFCD02093950 InChI Key: SUALHSUMUQQLJP-UHFFFAOYSA-N Synonym: ethyl 3-n-propylpyrazole-5-carboxylate,ethyl 3-propyl-1h-pyrazole-5-carboxylate,ethyl 5-n-propyl-1h-pyrazole-3-carboxylate,ethyl 5-propylpyrazole-3-carboxylate,3-propyl-1h-pyrazole-5-carboxylic acid ethyl ester,5-propyl-2h-pyrazole-3-carboxylic acid ethyl ester,ethyl 5-propyl-2h-pyrazole-3-carboxylate,3-n-propylpyrazole-5-carboxylic acid ethyl ester,ethyl 3-propylpyrazole-5-carboxylate,1h-pyrazole-3-carboxylic acid, 5-propyl-, ethyl ester PubChem CID: 7365260 IUPAC Name: ethyl 5-propyl-1H-pyrazole-3-carboxylate SMILES: CCCC1=CC(=NN1)C(=O)OCC

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Specifications

PubChem CID	7365260
CAS	92945-27-2
Molecular Weight (g/mol)	182.223
MDL Number	MFCD02093950
SMILES	CCCC1=CC(=NN1)C(=O)OCC
Synonym	ethyl 3-n-propylpyrazole-5-carboxylate,ethyl 3-propyl-1h-pyrazole-5-carboxylate,ethyl 5-n-propyl-1h-pyrazole-3-carboxylate,ethyl 5-propylpyrazole-3-carboxylate,3-propyl-1h-pyrazole-5-carboxylic acid ethyl ester,5-propyl-2h-pyrazole-3-carboxylic acid ethyl ester,ethyl 5-propyl-2h-pyrazole-3-carboxylate,3-n-propylpyrazole-5-carboxylic acid ethyl ester,ethyl 3-propylpyrazole-5-carboxylate,1h-pyrazole-3-carboxylic acid, 5-propyl-, ethyl ester
IUPAC Name	ethyl 5-propyl-1H-pyrazole-3-carboxylate
InChI Key	SUALHSUMUQQLJP-UHFFFAOYSA-N
Molecular Formula	C9H14N2O2

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

TraceCERT™ EPA Phthalate Esters Mix, 2000 μg/mL, Certified Reference Material, MilliporeSigma™ Supelco™

This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to the SI through a primary reference material from a NMI. Certified content incl. uncertainty and expiry date are stated on the enclosed certificate.

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Acetoxyacetone, 97%

CAS: 592-20-1 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.116 MDL Number: MFCD00042848 InChI Key: DBERHVIZRVGDFO-UHFFFAOYSA-N Synonym: acetoxyacetone,acetonyl acetate,acetol acetate,2-propanone, 1-acetyloxy,acetoxypropanone,o-acetylacetol,1-acetoxyacetone,acetylmethyl acetate,acetoxy-2-propanone,1-acetoxy-2-propanone PubChem CID: 11593 IUPAC Name: 2-oxopropyl acetate SMILES: CC(=O)COC(=O)C

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Specifications

PubChem CID	11593
CAS	592-20-1
Molecular Weight (g/mol)	116.116
MDL Number	MFCD00042848
SMILES	CC(=O)COC(=O)C
Synonym	acetoxyacetone,acetonyl acetate,acetol acetate,2-propanone, 1-acetyloxy,acetoxypropanone,o-acetylacetol,1-acetoxyacetone,acetylmethyl acetate,acetoxy-2-propanone,1-acetoxy-2-propanone
IUPAC Name	2-oxopropyl acetate
InChI Key	DBERHVIZRVGDFO-UHFFFAOYSA-N
Molecular Formula	C5H8O3

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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Specifications

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

3-(4-Chlorophenyl)propionic acid, 94%

CAS: 2019-34-3 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00016555 InChI Key: BBSLOKZINKEUCR-UHFFFAOYSA-N Synonym: 3-4-chlorophenyl propanoic acid,3-4-chlorophenyl propionic acid,benzenepropanoic acid, 4-chloro,4-chlorophenylpropionic acid,p-chlorohydrocinnamic acid,3-4-chlorophenyl-propionic acid,4-chlorobenzenepropanoic acid,3-4-chloro-phenyl-propionic acid,3-p-chlorophenyl propionic acid,4-chlorohydrocinnamic acid PubChem CID: 123137 IUPAC Name: 3-(4-chlorophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)Cl

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Specifications

PubChem CID	123137
CAS	2019-34-3
Molecular Weight (g/mol)	184.619
MDL Number	MFCD00016555
SMILES	C1=CC(=CC=C1CCC(=O)O)Cl
Synonym	3-4-chlorophenyl propanoic acid,3-4-chlorophenyl propionic acid,benzenepropanoic acid, 4-chloro,4-chlorophenylpropionic acid,p-chlorohydrocinnamic acid,3-4-chlorophenyl-propionic acid,4-chlorobenzenepropanoic acid,3-4-chloro-phenyl-propionic acid,3-p-chlorophenyl propionic acid,4-chlorohydrocinnamic acid
IUPAC Name	3-(4-chlorophenyl)propanoic acid
InChI Key	BBSLOKZINKEUCR-UHFFFAOYSA-N
Molecular Formula	C9H9ClO2

Monocarboxylic acids and derivatives

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