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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391 – 405 of 2,334 results

391

n-Butyl dodecanoate, 99+%

CAS: 106-18-3 Molecular Formula: C16H32O2 Molecular Weight (g/mol): 256.43 MDL Number: MFCD00042870 InChI Key: NDKYEUQMPZIGFN-UHFFFAOYSA-N Synonym: butyl laurate,dodecanoic acid, butyl ester,n-butyl laurate,bytyl laurate,butyl dodecylate,lauric acid butyl ester,lauric acid, butyl ester,lauric acid n-butyl ester,unii-23985ocm4h,n-butyl n-dodecanoate PubChem CID: 61015 IUPAC Name: butyl dodecanoate SMILES: CCCCCCCCCCCC(=O)OCCCC

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Specifications

PubChem CID	61015
CAS	106-18-3
Molecular Weight (g/mol)	256.43
MDL Number	MFCD00042870
SMILES	CCCCCCCCCCCC(=O)OCCCC
Synonym	butyl laurate,dodecanoic acid, butyl ester,n-butyl laurate,bytyl laurate,butyl dodecylate,lauric acid butyl ester,lauric acid, butyl ester,lauric acid n-butyl ester,unii-23985ocm4h,n-butyl n-dodecanoate
IUPAC Name	butyl dodecanoate
InChI Key	NDKYEUQMPZIGFN-UHFFFAOYSA-N
Molecular Formula	C16H32O2

392

trans-Indole-3-acrylic acid, 98+%

CAS: 29953-71-7 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.198 MDL Number: MFCD00005633 InChI Key: PLVPPLCLBIEYEA-AATRIKPKSA-N Synonym: 3-indoleacrylic acid,trans-3-indoleacrylic acid,indole-3-acrylic acid,3-indolylacrylic acid,indole-3beta-acrylic acid,3-1h-indol-3-yl acrylic acid,indole-3-crylic acid,2e-3-1h-indol-3-yl prop-2-enoic acid,trans-3-1h-indol-3-yl acrylic acid,indoleacrylic acid van PubChem CID: 5375048 IUPAC Name: (E)-3-(1H-indol-3-yl)prop-2-enoic acid SMILES: C1=CC=C2C(=C1)C(=CN2)C=CC(=O)O

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Specifications

PubChem CID	5375048
CAS	29953-71-7
Molecular Weight (g/mol)	187.198
MDL Number	MFCD00005633
SMILES	C1=CC=C2C(=C1)C(=CN2)C=CC(=O)O
Synonym	3-indoleacrylic acid,trans-3-indoleacrylic acid,indole-3-acrylic acid,3-indolylacrylic acid,indole-3beta-acrylic acid,3-1h-indol-3-yl acrylic acid,indole-3-crylic acid,2e-3-1h-indol-3-yl prop-2-enoic acid,trans-3-1h-indol-3-yl acrylic acid,indoleacrylic acid van
IUPAC Name	(E)-3-(1H-indol-3-yl)prop-2-enoic acid
InChI Key	PLVPPLCLBIEYEA-AATRIKPKSA-N
Molecular Formula	C11H9NO2

393

Ethyl cyclohexanecarboxylate, 98+%

CAS: 3289-28-9 Molecular Formula: C9H16O2 Molecular Weight (g/mol): 156.225 MDL Number: MFCD00041734 InChI Key: JJOYCHKVKWDMEA-UHFFFAOYSA-N Synonym: cyclohexanecarboxylic acid, ethyl ester,ethyl cyclohexylformate,ethyl hexahydrobenzoate,cyclohexanecarboxylic acid ethyl ester,ethoxycarbonylcyclohexane,ethyl cyclohexylcarboxylate,ethyl cyclohexanoate,fema no. 3544,ethyl cyclohexylmethanoate,ethyl cyclohexanocarboxylate PubChem CID: 18686 IUPAC Name: ethyl cyclohexanecarboxylate SMILES: CCOC(=O)C1CCCCC1

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Specifications

PubChem CID	18686
CAS	3289-28-9
Molecular Weight (g/mol)	156.225
MDL Number	MFCD00041734
SMILES	CCOC(=O)C1CCCCC1
Synonym	cyclohexanecarboxylic acid, ethyl ester,ethyl cyclohexylformate,ethyl hexahydrobenzoate,cyclohexanecarboxylic acid ethyl ester,ethoxycarbonylcyclohexane,ethyl cyclohexylcarboxylate,ethyl cyclohexanoate,fema no. 3544,ethyl cyclohexylmethanoate,ethyl cyclohexanocarboxylate
IUPAC Name	ethyl cyclohexanecarboxylate
InChI Key	JJOYCHKVKWDMEA-UHFFFAOYSA-N
Molecular Formula	C9H16O2

394

trans-3-(4-Pyridyl)acrylic acid, 97%

CAS: 84228-93-3 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00040746 InChI Key: SSAYTINUCCRGDR-OWOJBTEDSA-N Synonym: 3-4-pyridyl acrylic acid,trans-3-4-pyridyl acrylic acid,3-pyridin-4-yl-acrylic acid,4-pyridineacrylic acid,e-3-pyridin-4-yl acrylic acid,3-pyridin-4-yl acrylic acid,2e-3-pyridin-4-ylacrylic acid,3-4-pyridine acrylic acid,2e-3-pyridin-4-yl prop-2-enoic acid,e-3-pyridin-4-yl-acrylic acid PubChem CID: 736782 IUPAC Name: (E)-3-pyridin-4-ylprop-2-enoic acid SMILES: C1=CN=CC=C1C=CC(=O)O

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Specifications

PubChem CID	736782
CAS	84228-93-3
Molecular Weight (g/mol)	149.149
MDL Number	MFCD00040746
SMILES	C1=CN=CC=C1C=CC(=O)O
Synonym	3-4-pyridyl acrylic acid,trans-3-4-pyridyl acrylic acid,3-pyridin-4-yl-acrylic acid,4-pyridineacrylic acid,e-3-pyridin-4-yl acrylic acid,3-pyridin-4-yl acrylic acid,2e-3-pyridin-4-ylacrylic acid,3-4-pyridine acrylic acid,2e-3-pyridin-4-yl prop-2-enoic acid,e-3-pyridin-4-yl-acrylic acid
IUPAC Name	(E)-3-pyridin-4-ylprop-2-enoic acid
InChI Key	SSAYTINUCCRGDR-OWOJBTEDSA-N
Molecular Formula	C8H7NO2

395

Ethyl 3-(2-thienyl)-1H-pyrazole-5-carboxylate, 97%, Thermo Scientific™

CAS: 121195-03-7 Molecular Formula: C10H10N2O2S Molecular Weight (g/mol): 222.262 MDL Number: MFCD07772880 InChI Key: NTCRDZSJYGZRIE-UHFFFAOYSA-N Synonym: ethyl 5-thien-2-yl-1h-pyrazole-3-carboxylate,ethyl 3-thiophen-2-yl-1h-pyrazole-5-carboxylate,ethyl 5-2-thienyl pyrazole-3-carboxylate,ethyl 5-thiophen-2-yl-1h-pyrazole-3-carboxylate,ethyl 3-2-thienyl-1h-pyrazole-5-carboxylate,ethyl 5-thiophen-2-yl-2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, 5-2-thienyl-, ethyl ester,1h-pyrazole-3-carboxylicacid, 5-2-thienyl-, ethyl ester,acmc-20mpcx,maybridge1_008811 PubChem CID: 2736478 IUPAC Name: ethyl 5-thiophen-2-yl-1H-pyrazole-3-carboxylate SMILES: CCOC(=O)C1=NNC(=C1)C2=CC=CS2

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Specifications

PubChem CID	2736478
CAS	121195-03-7
Molecular Weight (g/mol)	222.262
MDL Number	MFCD07772880
SMILES	CCOC(=O)C1=NNC(=C1)C2=CC=CS2
Synonym	ethyl 5-thien-2-yl-1h-pyrazole-3-carboxylate,ethyl 3-thiophen-2-yl-1h-pyrazole-5-carboxylate,ethyl 5-2-thienyl pyrazole-3-carboxylate,ethyl 5-thiophen-2-yl-1h-pyrazole-3-carboxylate,ethyl 3-2-thienyl-1h-pyrazole-5-carboxylate,ethyl 5-thiophen-2-yl-2h-pyrazole-3-carboxylate,1h-pyrazole-3-carboxylic acid, 5-2-thienyl-, ethyl ester,1h-pyrazole-3-carboxylicacid, 5-2-thienyl-, ethyl ester,acmc-20mpcx,maybridge1_008811
IUPAC Name	ethyl 5-thiophen-2-yl-1H-pyrazole-3-carboxylate
InChI Key	NTCRDZSJYGZRIE-UHFFFAOYSA-N
Molecular Formula	C10H10N2O2S

396

n-Butyl Acetate, ACS, 99.5%, Spectrum™ Chemical

CAS: 123-86-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N IUPAC Name: butyl acetate SMILES: CCCCOC(C)=O

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Specifications

CAS	123-86-4
Molecular Weight (g/mol)	116.16
SMILES	CCCCOC(C)=O
IUPAC Name	butyl acetate
InChI Key	DKPFZGUDAPQIHT-UHFFFAOYSA-N
Molecular Formula	C6H12O2

397

Ethyl mercaptoacetate, 98+%

CAS: 623-51-8 Molecular Formula: C4H8O2S Molecular Weight (g/mol): 120.166 MDL Number: MFCD00004874 InChI Key: PVBRSNZAOAJRKO-UHFFFAOYSA-N Synonym: ethyl thioglycolate,ethyl mercaptoacetate,ethyl 2-mercaptoacetate,mercaptoacetic acid ethyl ester,ethyl thioglycollate,acetic acid, mercapto-, ethyl ester,thioglycolic acid ethyl ester,ethyl mercaptoacetic acid,usaf ek-2070,acetic acid, 2-mercapto-, ethyl ester PubChem CID: 12185 IUPAC Name: ethyl 2-sulfanylacetate SMILES: CCOC(=O)CS

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Specifications

PubChem CID	12185
CAS	623-51-8
Molecular Weight (g/mol)	120.166
MDL Number	MFCD00004874
SMILES	CCOC(=O)CS
Synonym	ethyl thioglycolate,ethyl mercaptoacetate,ethyl 2-mercaptoacetate,mercaptoacetic acid ethyl ester,ethyl thioglycollate,acetic acid, mercapto-, ethyl ester,thioglycolic acid ethyl ester,ethyl mercaptoacetic acid,usaf ek-2070,acetic acid, 2-mercapto-, ethyl ester
IUPAC Name	ethyl 2-sulfanylacetate
InChI Key	PVBRSNZAOAJRKO-UHFFFAOYSA-N
Molecular Formula	C4H8O2S

398

n-Butyl acetate, 99.5+%, for electronic use (MOS), residue free

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

399

1-Naphthyl acetate, 99%, Thermo Scientific Chemicals

CAS: 830-81-9 Molecular Formula: C₁₂H₁₀O₂ Molecular Weight (g/mol): 186.21 MDL Number: MFCD00003922 InChI Key: VGKONPUVOVVNSU-UHFFFAOYSA-N Synonym: 1-naphthyl acetate,1-acetoxynaphthalene,alpha-naphthyl acetate,1-naphthol, acetate,a-naphthyl acetate,naphthyl acetate,naphthalene, 1-acetoxy,1-naphthalenol, acetate,acetic acid 1-naphthyl ester,alpha-naphthol acetate PubChem CID: 13247 IUPAC Name: naphthalen-1-yl acetate SMILES: CC(=O)OC1=CC=CC2=CC=CC=C21

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Specifications

PubChem CID	13247
CAS	830-81-9
Molecular Weight (g/mol)	186.21
MDL Number	MFCD00003922
SMILES	CC(=O)OC1=CC=CC2=CC=CC=C21
Synonym	1-naphthyl acetate,1-acetoxynaphthalene,alpha-naphthyl acetate,1-naphthol, acetate,a-naphthyl acetate,naphthyl acetate,naphthalene, 1-acetoxy,1-naphthalenol, acetate,acetic acid 1-naphthyl ester,alpha-naphthol acetate
IUPAC Name	naphthalen-1-yl acetate
InChI Key	VGKONPUVOVVNSU-UHFFFAOYSA-N
Molecular Formula	C₁₂H₁₀O₂

400

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

401

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

CAS: 22084-89-5 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00079773 InChI Key: JIRKNEAMPYVPTD-UHFFFAOYSA-N PubChem CID: 30938 IUPAC Name: 3-(2-methylphenyl)propanoic acid SMILES: CC1=CC=CC=C1CCC(=O)O

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Specifications

PubChem CID	30938
CAS	22084-89-5
Molecular Weight (g/mol)	164.204
MDL Number	MFCD00079773
SMILES	CC1=CC=CC=C1CCC(=O)O
IUPAC Name	3-(2-methylphenyl)propanoic acid
InChI Key	JIRKNEAMPYVPTD-UHFFFAOYSA-N
Molecular Formula	C10H12O2

402

5-Methyl-2-phenyl-2H-1,2,3-triazole-4-carboxylic acid, 97%, Thermo Scientific™

CAS: 22300-56-7 Molecular Formula: C10H9N3O2 Molecular Weight (g/mol): 203.201 MDL Number: MFCD00051653 InChI Key: GQYQHAGPALBYDO-UHFFFAOYSA-N Synonym: 5-methyl-2-phenyl-2h-1,2,3-triazole-4-carboxylic acid,4-methyl-2-phenyl-1,2,3-triazole-5-carboxylic acid,5-methyl-2-phenyl-1,2,3-triazole-4-carboxylic acid,4-methyl-2-phenyl-2h-1,2,3-triazole-5-carboxylic acid,2h-1,2,3-triazole-4-carboxylic acid, 5-methyl-2-phenyl,acmc-20ame3,maybridge1_002457,4-carboxy-5-methyl-2-phenyl-1,2,3-triazole,2-phenyl-5-methyl-4-carboxy-2h-1,2,3-triazole,2h-1,2,3-triazole-4-carboxylicacid,5-methyl-2-phenyl PubChem CID: 519936 IUPAC Name: 5-methyl-2-phenyltriazole-4-carboxylic acid SMILES: CC1=NN(N=C1C(=O)O)C2=CC=CC=C2

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Specifications

PubChem CID	519936
CAS	22300-56-7
Molecular Weight (g/mol)	203.201
MDL Number	MFCD00051653
SMILES	CC1=NN(N=C1C(=O)O)C2=CC=CC=C2
Synonym	5-methyl-2-phenyl-2h-1,2,3-triazole-4-carboxylic acid,4-methyl-2-phenyl-1,2,3-triazole-5-carboxylic acid,5-methyl-2-phenyl-1,2,3-triazole-4-carboxylic acid,4-methyl-2-phenyl-2h-1,2,3-triazole-5-carboxylic acid,2h-1,2,3-triazole-4-carboxylic acid, 5-methyl-2-phenyl,acmc-20ame3,maybridge1_002457,4-carboxy-5-methyl-2-phenyl-1,2,3-triazole,2-phenyl-5-methyl-4-carboxy-2h-1,2,3-triazole,2h-1,2,3-triazole-4-carboxylicacid,5-methyl-2-phenyl
IUPAC Name	5-methyl-2-phenyltriazole-4-carboxylic acid
InChI Key	GQYQHAGPALBYDO-UHFFFAOYSA-N
Molecular Formula	C10H9N3O2

403

Ethyl cyanoacetate, 98+%

CAS: 105-56-6 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.12 MDL Number: MFCD00001940 InChI Key: ZIUSEGSNTOUIPT-UHFFFAOYSA-N Synonym: ethyl cyanoacetate,ethyl cyanacetate,cyanoacetic acid ethyl ester,acetic acid, cyano-, ethyl ester,ethyl cyanoethanoate,cyanoacetic ester,cyanacetate ethyle,usaf kf-25,estere cianoacetico,ethyl cyano acetate PubChem CID: 7764 IUPAC Name: ethyl 2-cyanoacetate SMILES: CCOC(=O)CC#N

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Specifications

PubChem CID	7764
CAS	105-56-6
Molecular Weight (g/mol)	113.12
MDL Number	MFCD00001940
SMILES	CCOC(=O)CC#N
Synonym	ethyl cyanoacetate,ethyl cyanacetate,cyanoacetic acid ethyl ester,acetic acid, cyano-, ethyl ester,ethyl cyanoethanoate,cyanoacetic ester,cyanacetate ethyle,usaf kf-25,estere cianoacetico,ethyl cyano acetate
IUPAC Name	ethyl 2-cyanoacetate
InChI Key	ZIUSEGSNTOUIPT-UHFFFAOYSA-N
Molecular Formula	C5H7NO2

404

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

405

o-Tolylacetic acid, 99%

CAS: 644-36-0 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00004328 InChI Key: RZWGTXHSYZGXKF-UHFFFAOYSA-N Synonym: o-tolylacetic acid,2-methylphenylacetic acid,2-methylphenyl acetic acid,2-2-methylphenyl acetic acid,2-o-tolyl acetic acid,2-tolylacetic acid,2-o-tolylacetic acid,o-methylphenylacetic acid,o-tolyacetic acid PubChem CID: 69519 IUPAC Name: 2-(2-methylphenyl)acetic acid SMILES: CC1=CC=CC=C1CC(=O)O

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Specifications

PubChem CID	69519
CAS	644-36-0
Molecular Weight (g/mol)	150.177
MDL Number	MFCD00004328
SMILES	CC1=CC=CC=C1CC(=O)O
Synonym	o-tolylacetic acid,2-methylphenylacetic acid,2-methylphenyl acetic acid,2-2-methylphenyl acetic acid,2-o-tolyl acetic acid,2-tolylacetic acid,2-o-tolylacetic acid,o-methylphenylacetic acid,o-tolyacetic acid
IUPAC Name	2-(2-methylphenyl)acetic acid
InChI Key	RZWGTXHSYZGXKF-UHFFFAOYSA-N
Molecular Formula	C9H10O2

Monocarboxylic acids and derivatives

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n-Butyl Acetate, ACS, 99.5%, Spectrum™ Chemical