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

2,2,4-Trimethyl-1,3-pentanediol 1-monoisobutyrate

CAS: 25265-77-4 Molecular Formula: C12H24O3 Molecular Weight (g/mol): 216.321 MDL Number: MFCD00148967 InChI Key: DAFHKNAQFPVRKR-UHFFFAOYSA-N Synonym: texanol,2,2,4-trimethyl-1,3-pentanediol monoisobutyrate,chissocizer cs 12,propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester,2,2,4-trimethylpentane-1,3-diol monoisobutyrate,3-hydroxy-2,2,4-trimethylpentyl isobutyrate,ccris 8966,isobutyraldehyde tishchenko trimer,propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol,2,2,4-trimethyl-1,3-pentanediolmono 2-methylpropanoate PubChem CID: 6490 IUPAC Name: (3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate SMILES: CC(C)C(C(C)(C)COC(=O)C(C)C)O

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Specifications

PubChem CID	6490
CAS	25265-77-4
Molecular Weight (g/mol)	216.321
MDL Number	MFCD00148967
SMILES	CC(C)C(C(C)(C)COC(=O)C(C)C)O
Synonym	texanol,2,2,4-trimethyl-1,3-pentanediol monoisobutyrate,chissocizer cs 12,propanoic acid, 2-methyl-, 3-hydroxy-2,2,4-trimethylpentyl ester,2,2,4-trimethylpentane-1,3-diol monoisobutyrate,3-hydroxy-2,2,4-trimethylpentyl isobutyrate,ccris 8966,isobutyraldehyde tishchenko trimer,propanoic acid, 2-methyl-, monoester with 2,2,4-trimethyl-1,3-pentanediol,2,2,4-trimethyl-1,3-pentanediolmono 2-methylpropanoate
IUPAC Name	(3-hydroxy-2,2,4-trimethylpentyl) 2-methylpropanoate
InChI Key	DAFHKNAQFPVRKR-UHFFFAOYSA-N
Molecular Formula	C12H24O3

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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Specifications

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

1-Methylpyrrole-2-carboxylic acid, 98%

CAS: 6973-60-0 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.127 MDL Number: MFCD00003088 InChI Key: ILAOVOOZLVGAJF-UHFFFAOYSA-N Synonym: 1-methyl-1h-pyrrole-2-carboxylic acid,1-methyl-2-pyrrolecarboxylic acid,n-methylpyrrole-2-carboxylic acid,1h-pyrrole-2-carboxylic acid, 1-methyl,1h-pyrrolecarboxylic acid, methyl,1-methyl-1h-pyrrole-2-carboxylicacid,pubchem9181,acmc-209oar,ksc353i0t,2-carboxy-1-methyl-1h-pyrrole PubChem CID: 81453 IUPAC Name: 1-methylpyrrole-2-carboxylic acid SMILES: CN1C=CC=C1C(=O)O

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Specifications

PubChem CID	81453
CAS	6973-60-0
Molecular Weight (g/mol)	125.127
MDL Number	MFCD00003088
SMILES	CN1C=CC=C1C(=O)O
Synonym	1-methyl-1h-pyrrole-2-carboxylic acid,1-methyl-2-pyrrolecarboxylic acid,n-methylpyrrole-2-carboxylic acid,1h-pyrrole-2-carboxylic acid, 1-methyl,1h-pyrrolecarboxylic acid, methyl,1-methyl-1h-pyrrole-2-carboxylicacid,pubchem9181,acmc-209oar,ksc353i0t,2-carboxy-1-methyl-1h-pyrrole
IUPAC Name	1-methylpyrrole-2-carboxylic acid
InChI Key	ILAOVOOZLVGAJF-UHFFFAOYSA-N
Molecular Formula	C6H7NO2

1-Adamantanecarboxylic acid, 99%

CAS: 828-51-3 Molecular Formula: C₁₁H₁₆O₂ Molecular Weight (g/mol): 180.25 MDL Number: MFCD00074720 InChI Key: JIMXXGFJRDUSRO-UHFFFAOYSA-N Synonym: 1-adamantanecarboxylic acid,1-carboxyadamantane,adamantanecarboxylic acid,adamantoic acid,1-adamantoic acid,3-adamantanecarboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylic acid,tricyclo 3.3.1.1'3,7 decane-1-carboxylic acid,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3r,5s,7s-adamantane-1-carboxylic acid PubChem CID: 13235 IUPAC Name: adamantane-1-carboxylic acid SMILES: C1C2CC3CC1CC(C2)(C3)C(=O)O

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Specifications

PubChem CID	13235
CAS	828-51-3
Molecular Weight (g/mol)	180.25
MDL Number	MFCD00074720
SMILES	C1C2CC3CC1CC(C2)(C3)C(=O)O
Synonym	1-adamantanecarboxylic acid,1-carboxyadamantane,adamantanecarboxylic acid,adamantoic acid,1-adamantoic acid,3-adamantanecarboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylic acid,tricyclo 3.3.1.1'3,7 decane-1-carboxylic acid,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3r,5s,7s-adamantane-1-carboxylic acid
IUPAC Name	adamantane-1-carboxylic acid
InChI Key	JIMXXGFJRDUSRO-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₆O₂

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

Butyl butyrate, 98%

CAS: 109-21-7 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00009450 InChI Key: XUPYJHCZDLZNFP-UHFFFAOYSA-N Synonym: butyl butyrate,n-butyl butyrate,butanoic acid, butyl ester,n-butyl butanoate,1-butyl butyrate,butyl butylate,butyric acid butyl ester,n-butyl n-butyrate,butyric acid, butyl ester,butyl n-butyrate PubChem CID: 7983 ChEBI: CHEBI:87429 IUPAC Name: butyl butanoate SMILES: CCCCOC(=O)CCC

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Specifications

PubChem CID	7983
CAS	109-21-7
Molecular Weight (g/mol)	144.21
ChEBI	CHEBI:87429
MDL Number	MFCD00009450
SMILES	CCCCOC(=O)CCC
Synonym	butyl butyrate,n-butyl butyrate,butanoic acid, butyl ester,n-butyl butanoate,1-butyl butyrate,butyl butylate,butyric acid butyl ester,n-butyl n-butyrate,butyric acid, butyl ester,butyl n-butyrate
IUPAC Name	butyl butanoate
InChI Key	XUPYJHCZDLZNFP-UHFFFAOYSA-N
Molecular Formula	C8H16O2

n-Butyl propionate, 99+%

CAS: 590-01-2 Molecular Formula: C₇H₁₄O₂ Molecular Weight (g/mol): 130.19 MDL Number: MFCD00009448 InChI Key: BTMVHUNTONAYDX-UHFFFAOYSA-N Synonym: butyl propionate,n-butyl propionate,propanoic acid, butyl ester,n-butyl propanoate,propionic acid, butyl ester,propionic acid butyl ester,unii-2nxc4ak99e,butyl propionate natural,fema no. 2211,n-butyl n-propionate PubChem CID: 11529 IUPAC Name: butyl propanoate SMILES: CCCCOC(=O)CC

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Specifications

PubChem CID	11529
CAS	590-01-2
Molecular Weight (g/mol)	130.19
MDL Number	MFCD00009448
SMILES	CCCCOC(=O)CC
Synonym	butyl propionate,n-butyl propionate,propanoic acid, butyl ester,n-butyl propanoate,propionic acid, butyl ester,propionic acid butyl ester,unii-2nxc4ak99e,butyl propionate natural,fema no. 2211,n-butyl n-propionate
IUPAC Name	butyl propanoate
InChI Key	BTMVHUNTONAYDX-UHFFFAOYSA-N
Molecular Formula	C₇H₁₄O₂

(BOC-aminooxy)acetic acid, 98%

CAS: 42989-85-5 Molecular Formula: C₇H₁₃NO₅ Molecular Weight (g/mol): 191.19 MDL Number: MFCD01632027 InChI Key: QBXODCKYUZNZCY-UHFFFAOYSA-N Synonym: boc-aminooxy acetic acid,2-tert-butoxycarbonyl amino oxy acetic acid,boc-aoa-oh,boc-aminooxyacetic acid,boc-aoac-oh,n-boc-carboxymethoxy amine,boc-aminooxy aceticacid,2-tert-butoxy carbonyl amino oxy acetic acid,2-2-methylpropan-2-yl oxycarbonylamino oxyacetic acid,tert-butoxycarbonyl aminooxy acetic acid PubChem CID: 2755974 IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetic acid SMILES: CC(C)(C)OC(=O)NOCC(=O)O

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Specifications

PubChem CID	2755974
CAS	42989-85-5
Molecular Weight (g/mol)	191.19
MDL Number	MFCD01632027
SMILES	CC(C)(C)OC(=O)NOCC(=O)O
Synonym	boc-aminooxy acetic acid,2-tert-butoxycarbonyl amino oxy acetic acid,boc-aoa-oh,boc-aminooxyacetic acid,boc-aoac-oh,n-boc-carboxymethoxy amine,boc-aminooxy aceticacid,2-tert-butoxy carbonyl amino oxy acetic acid,2-2-methylpropan-2-yl oxycarbonylamino oxyacetic acid,tert-butoxycarbonyl aminooxy acetic acid
IUPAC Name	2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetic acid
InChI Key	QBXODCKYUZNZCY-UHFFFAOYSA-N
Molecular Formula	C₇H₁₃NO₅

Cyclohexaneacetic acid, 98%

CAS: 5292-21-7 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00001518 InChI Key: LJOODBDWMQKMFB-UHFFFAOYSA-N Synonym: cyclohexylacetic acid,cyclohexaneacetic acid,cyclohexylethanoic acid,hexahydrophenylacetic acid,cyclohexyl acetic acid,unii-v43k3to0hn,fema no. 2347,cyclohexane-acetic acid,v43k3to0hn,cyclo-hexylacetic acid PubChem CID: 21363 ChEBI: CHEBI:37277 IUPAC Name: 2-cyclohexylacetic acid SMILES: OC(=O)CC1CCCCC1

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Specifications

PubChem CID	21363
CAS	5292-21-7
Molecular Weight (g/mol)	142.20
ChEBI	CHEBI:37277
MDL Number	MFCD00001518
SMILES	OC(=O)CC1CCCCC1
Synonym	cyclohexylacetic acid,cyclohexaneacetic acid,cyclohexylethanoic acid,hexahydrophenylacetic acid,cyclohexyl acetic acid,unii-v43k3to0hn,fema no. 2347,cyclohexane-acetic acid,v43k3to0hn,cyclo-hexylacetic acid
IUPAC Name	2-cyclohexylacetic acid
InChI Key	LJOODBDWMQKMFB-UHFFFAOYSA-N
Molecular Formula	C8H14O2

tert-Butyl pivalate, 98%

CAS: 16474-43-4 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.24 MDL Number: MFCD01861974 InChI Key: VXHFNALHLRWIIU-UHFFFAOYSA-N PubChem CID: 519272 IUPAC Name: tert-butyl 2,2-dimethylpropanoate SMILES: CC(C)(C)OC(=O)C(C)(C)C

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Specifications

PubChem CID	519272
CAS	16474-43-4
Molecular Weight (g/mol)	158.24
MDL Number	MFCD01861974
SMILES	CC(C)(C)OC(=O)C(C)(C)C
IUPAC Name	tert-butyl 2,2-dimethylpropanoate
InChI Key	VXHFNALHLRWIIU-UHFFFAOYSA-N
Molecular Formula	C9H18O2

3-(3-Bromophenyl)propionic acid, 97%

CAS: 42287-90-1 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD01310792 InChI Key: DWKWMFSWLCIMKI-UHFFFAOYSA-N Synonym: 3-3-bromophenyl propanoic acid,3-3-bromophenyl propionic acid,3-3-bromo-phenyl-propionic acid,3-bromophenylpropanoic acid,acmc-209jor,m-bromohydrocinnamic acid,3-bromohydrocinnamic acid,benzenepropanoic acid,3-bromo,3-3-bromophenyl propionicacid,3-m-bromophenyl propionic acid PubChem CID: 2063862 IUPAC Name: 3-(3-bromophenyl)propanoic acid SMILES: C1=CC(=CC(=C1)Br)CCC(=O)O

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Specifications

PubChem CID	2063862
CAS	42287-90-1
Molecular Weight (g/mol)	229.073
MDL Number	MFCD01310792
SMILES	C1=CC(=CC(=C1)Br)CCC(=O)O
Synonym	3-3-bromophenyl propanoic acid,3-3-bromophenyl propionic acid,3-3-bromo-phenyl-propionic acid,3-bromophenylpropanoic acid,acmc-209jor,m-bromohydrocinnamic acid,3-bromohydrocinnamic acid,benzenepropanoic acid,3-bromo,3-3-bromophenyl propionicacid,3-m-bromophenyl propionic acid
IUPAC Name	3-(3-bromophenyl)propanoic acid
InChI Key	DWKWMFSWLCIMKI-UHFFFAOYSA-N
Molecular Formula	C9H9BrO2

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

n-Propyl propionate, 99%

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

Pricing and Availability
Specifications

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

Monocarboxylic acids and derivatives

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