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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781 – 795 of 2,266 results

781

Ethyl Nonadecanoate 96.0+%, TCI America™

CAS: 18281-04-4 Molecular Formula: C21H42O2 Molecular Weight (g/mol): 326.565 MDL Number: MFCD00026690 InChI Key: ICVYQLQYVCXJNE-UHFFFAOYSA-N Synonym: Nonadecanoic Acid Ethyl Ester PubChem CID: 29008 IUPAC Name: ethyl nonadecanoate SMILES: CCCCCCCCCCCCCCCCCCC(=O)OCC

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PubChem CID	29008
CAS	18281-04-4
Molecular Weight (g/mol)	326.565
MDL Number	MFCD00026690
SMILES	CCCCCCCCCCCCCCCCCCC(=O)OCC
Synonym	Nonadecanoic Acid Ethyl Ester
IUPAC Name	ethyl nonadecanoate
InChI Key	ICVYQLQYVCXJNE-UHFFFAOYSA-N
Molecular Formula	C21H42O2

782

Hexyl Propionate 98.0+%, TCI America™

CAS: 2445-76-3 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.241 MDL Number: MFCD00085197 InChI Key: GOKKOFHHJFGZHW-UHFFFAOYSA-N Synonym: Propionic Acid Hexyl Ester PubChem CID: 88454 ChEBI: CHEBI:87549 IUPAC Name: hexyl propanoate SMILES: CCCCCCOC(=O)CC

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Specifications

PubChem CID	88454
CAS	2445-76-3
Molecular Weight (g/mol)	158.241
ChEBI	CHEBI:87549
MDL Number	MFCD00085197
SMILES	CCCCCCOC(=O)CC
Synonym	Propionic Acid Hexyl Ester
IUPAC Name	hexyl propanoate
InChI Key	GOKKOFHHJFGZHW-UHFFFAOYSA-N
Molecular Formula	C9H18O2

783

Butyl Thioglycolate 98.0+%, TCI America™

CAS: 10047-28-6 Molecular Formula: C6H12O2S Molecular Weight (g/mol): 148.22 MDL Number: MFCD00022087 InChI Key: SKGVGRLWZVRZDC-UHFFFAOYSA-N Synonym: Thioglycolic Acid Butyl Ester, Mercaptoacetic Acid Butyl Ester, Butyl Mercaptoacetate PubChem CID: 82321 IUPAC Name: butyl 2-sulfanylacetate SMILES: CCCCOC(=O)CS

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Specifications

PubChem CID	82321
CAS	10047-28-6
Molecular Weight (g/mol)	148.22
MDL Number	MFCD00022087
SMILES	CCCCOC(=O)CS
Synonym	Thioglycolic Acid Butyl Ester, Mercaptoacetic Acid Butyl Ester, Butyl Mercaptoacetate
IUPAC Name	butyl 2-sulfanylacetate
InChI Key	SKGVGRLWZVRZDC-UHFFFAOYSA-N
Molecular Formula	C6H12O2S

784

Ethyl 3-Methylvalerate 98.0+%, TCI America™

CAS: 5870-68-8 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00041390 InChI Key: TXAWGHYFBQBVNK-UHFFFAOYSA-N Synonym: ethyl 3-methylvalerate,pentanoic acid, 3-methyl-, ethyl ester,ethyl beta-methylvalerate,valeric acid, 3-methyl-, ethyl ester,3-methylvaleric acid ethyl ester,3-methylpentanoic acid, ethyl ester,fema no. 3679,ethyl 3-methyl valerate,ethyl 3-methyl pentanoate PubChem CID: 560255 IUPAC Name: ethyl 3-methylpentanoate SMILES: CCC(C)CC(=O)OCC

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PubChem CID	560255
CAS	5870-68-8
Molecular Weight (g/mol)	144.214
MDL Number	MFCD00041390
SMILES	CCC(C)CC(=O)OCC
Synonym	ethyl 3-methylvalerate,pentanoic acid, 3-methyl-, ethyl ester,ethyl beta-methylvalerate,valeric acid, 3-methyl-, ethyl ester,3-methylvaleric acid ethyl ester,3-methylpentanoic acid, ethyl ester,fema no. 3679,ethyl 3-methyl valerate,ethyl 3-methyl pentanoate
IUPAC Name	ethyl 3-methylpentanoate
InChI Key	TXAWGHYFBQBVNK-UHFFFAOYSA-N
Molecular Formula	C8H16O2

785

Syringic Acid 97.0+%, TCI America™

CAS: 530-57-4 Molecular Formula: C9H10O5 Molecular Weight (g/mol): 198.17 MDL Number: MFCD00002552 InChI Key: JMSVCTWVEWCHDZ-UHFFFAOYSA-N Synonym: syringic acid,3,5-dimethoxy-4-hydroxybenzoic acid,cedar acid,gallic acid 3,5-dimethyl ether,benzoic acid, 4-hydroxy-3,5-dimethoxy,3,5-dimethoxy-4-hydroxybenzyl acid,4-hydroxy-3,5-dimethoxy-benzoic acid,chembl1414,syringicacid,syringlicacid PubChem CID: 10742 ChEBI: CHEBI:68329 IUPAC Name: 4-hydroxy-3,5-dimethoxybenzoic acid SMILES: COC1=CC(=CC(OC)=C1O)C(O)=O

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Specifications

PubChem CID	10742
CAS	530-57-4
Molecular Weight (g/mol)	198.17
ChEBI	CHEBI:68329
MDL Number	MFCD00002552
SMILES	COC1=CC(=CC(OC)=C1O)C(O)=O
Synonym	syringic acid,3,5-dimethoxy-4-hydroxybenzoic acid,cedar acid,gallic acid 3,5-dimethyl ether,benzoic acid, 4-hydroxy-3,5-dimethoxy,3,5-dimethoxy-4-hydroxybenzyl acid,4-hydroxy-3,5-dimethoxy-benzoic acid,chembl1414,syringicacid,syringlicacid
IUPAC Name	4-hydroxy-3,5-dimethoxybenzoic acid
InChI Key	JMSVCTWVEWCHDZ-UHFFFAOYSA-N
Molecular Formula	C9H10O5

786

Ethyl Levulinate 98.0+%, TCI America™

CAS: 539-88-8 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009209 InChI Key: GMEONFUTDYJSNV-UHFFFAOYSA-N Synonym: ethyl levulinate,ethyl levulate,ethyl laevulinate,levulinic acid, ethyl ester,ethyl 4-ketovalerate,ethyl 3-acetylpropionate,ethyl 4-oxovalerate,pentanoic acid, 4-oxo-, ethyl ester,ethyl ketovalerate,ethyl acetylpropanoate PubChem CID: 10883 IUPAC Name: ethyl 4-oxopentanoate SMILES: CCOC(=O)CCC(C)=O

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Specifications

PubChem CID	10883
CAS	539-88-8
Molecular Weight (g/mol)	144.17
MDL Number	MFCD00009209
SMILES	CCOC(=O)CCC(C)=O
Synonym	ethyl levulinate,ethyl levulate,ethyl laevulinate,levulinic acid, ethyl ester,ethyl 4-ketovalerate,ethyl 3-acetylpropionate,ethyl 4-oxovalerate,pentanoic acid, 4-oxo-, ethyl ester,ethyl ketovalerate,ethyl acetylpropanoate
IUPAC Name	ethyl 4-oxopentanoate
InChI Key	GMEONFUTDYJSNV-UHFFFAOYSA-N
Molecular Formula	C7H12O3

787

Ethyl 1-Adamantanecarboxylate 98.0+%, TCI America™

CAS: 2094-73-7 Molecular Formula: C13H20O2 Molecular Weight (g/mol): 208.30 MDL Number: MFCD00078272 InChI Key: SYEXGNJRYPOUSI-UHFFFAOYSA-N Synonym: 1-adamantanecarboxylic acid ethyl ester,ethyl 1-adamantanecarboxylate,ethyladamantane-1-carboxylate,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid, ethyl ester,ethyl tricyclo 3.3.1.13,7 decane-1-carboxylate,tricyclo 3.3.1.1 3,7-decane-1-carboxylic acid, ethyl ester,pubchem8778,acmc-1cctj,1-ethoxycarbonyladamantane,ethyl adamantanecarboxylate PubChem CID: 123141 IUPAC Name: ethyl adamantane-1-carboxylate SMILES: CCOC(=O)C12CC3CC(CC(C3)C1)C2

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PubChem CID	123141
CAS	2094-73-7
Molecular Weight (g/mol)	208.30
MDL Number	MFCD00078272
SMILES	CCOC(=O)C12CC3CC(CC(C3)C1)C2
Synonym	1-adamantanecarboxylic acid ethyl ester,ethyl 1-adamantanecarboxylate,ethyladamantane-1-carboxylate,tricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid, ethyl ester,ethyl tricyclo 3.3.1.13,7 decane-1-carboxylate,tricyclo 3.3.1.1 3,7-decane-1-carboxylic acid, ethyl ester,pubchem8778,acmc-1cctj,1-ethoxycarbonyladamantane,ethyl adamantanecarboxylate
IUPAC Name	ethyl adamantane-1-carboxylate
InChI Key	SYEXGNJRYPOUSI-UHFFFAOYSA-N
Molecular Formula	C13H20O2

788

Ethyl Indole-2-carboxylate 98.0+%, TCI America™

CAS: 3770-50-1 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00005609 InChI Key: QQXQAEWRSVZPJM-UHFFFAOYSA-N Synonym: ethyl indole-2-carboxylate,indole-2-carboxylic acid ethyl ester,2-carbethoxyindole,1h-indole-2-carboxylic acid, ethyl ester,indole-2-carboxylic acid, ethyl ester,1h-indole-2-carboxylic acid ethyl ester,ethylindole-2-carboxylate,ethyl 2-indolecarboxylate,1h-indole-2-carboxylic acid,ethyl ester,2-carboethoxyindole PubChem CID: 73125 IUPAC Name: ethyl 1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=CC=CC=C2N1

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Specifications

PubChem CID	73125
CAS	3770-50-1
Molecular Weight (g/mol)	189.21
MDL Number	MFCD00005609
SMILES	CCOC(=O)C1=CC2=CC=CC=C2N1
Synonym	ethyl indole-2-carboxylate,indole-2-carboxylic acid ethyl ester,2-carbethoxyindole,1h-indole-2-carboxylic acid, ethyl ester,indole-2-carboxylic acid, ethyl ester,1h-indole-2-carboxylic acid ethyl ester,ethylindole-2-carboxylate,ethyl 2-indolecarboxylate,1h-indole-2-carboxylic acid,ethyl ester,2-carboethoxyindole
IUPAC Name	ethyl 1H-indole-2-carboxylate
InChI Key	QQXQAEWRSVZPJM-UHFFFAOYSA-N
Molecular Formula	C11H11NO2

789

Ethyl 2-Methylvalerate 98.0+%, TCI America™

CAS: 39255-32-8 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00036564 InChI Key: HZPKNSYIDSNZKW-UHFFFAOYNA-N Synonym: ethyl 2-methylvalerate,manzanate,pentanoic acid, 2-methyl-, ethyl ester,melon valerate,ethyl alpha-methylvalerate,ethyl .alpha.-methylvalerate,fema no. 3488,ethyl,a-methylvalerate,acmc-1ahki,ethyl 2-methyl pentanoate PubChem CID: 62902 IUPAC Name: ethyl 2-methylpentanoate SMILES: CCCC(C)C(=O)OCC

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PubChem CID	62902
CAS	39255-32-8
Molecular Weight (g/mol)	144.21
MDL Number	MFCD00036564
SMILES	CCCC(C)C(=O)OCC
Synonym	ethyl 2-methylvalerate,manzanate,pentanoic acid, 2-methyl-, ethyl ester,melon valerate,ethyl alpha-methylvalerate,ethyl .alpha.-methylvalerate,fema no. 3488,ethyl,a-methylvalerate,acmc-1ahki,ethyl 2-methyl pentanoate
IUPAC Name	ethyl 2-methylpentanoate
InChI Key	HZPKNSYIDSNZKW-UHFFFAOYNA-N
Molecular Formula	C8H16O2

790

Ethyl 4-Acetyl-5-oxohexanoate 96.0+%, TCI America™

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791

cis-3-Hexenyl cis-3-Hexenoate 95.0+%, TCI America™

CAS: 61444-38-0 Molecular Formula: C12H20O2 Molecular Weight (g/mol): 196.29 MDL Number: MFCD00036652 InChI Key: UZJQQWFHPLYECS-SFECMWDFSA-N Synonym: cis-3-Hexenoic Acid cis-3-Hexenyl Ester PubChem CID: 6435882 IUPAC Name: [(Z)-hex-3-enyl] (Z)-hex-3-enoate SMILES: CCC=CCCOC(=O)CC=CCC

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PubChem CID	6435882
CAS	61444-38-0
Molecular Weight (g/mol)	196.29
MDL Number	MFCD00036652
SMILES	CCC=CCCOC(=O)CC=CCC
Synonym	cis-3-Hexenoic Acid cis-3-Hexenyl Ester
IUPAC Name	[(Z)-hex-3-enyl] (Z)-hex-3-enoate
InChI Key	UZJQQWFHPLYECS-SFECMWDFSA-N
Molecular Formula	C12H20O2

792

Ethyl Phenylcyanoacetate 95.0+%, TCI America™

CAS: 4553-07-5 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00001866 InChI Key: SXIRJEDGTAKGKU-UHFFFAOYNA-N Synonym: ethyl phenylcyanoacetate,phenylcyanoacetic acid ethyl ester,ethyl cyanophenylacetate,ethyl cyano phenyl acetate,ethyl alpha-cyanophenylacetate,ethyl alpha-cyano-alpha-phenylacetate,acetic acid, cyanophenyl-, ethyl ester,alpha-cyanobenzeneacetic acid, ethyl ester,benzeneacetic acid, alpha-cyano-, ethyl ester,benzeneacetic acid, .alpha.-cyano-, ethyl ester PubChem CID: 95298 ChEBI: CHEBI:51926 IUPAC Name: ethyl 2-cyano-2-phenylacetate SMILES: CCOC(=O)C(C#N)C1=CC=CC=C1

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PubChem CID	95298
CAS	4553-07-5
Molecular Weight (g/mol)	189.21
ChEBI	CHEBI:51926
MDL Number	MFCD00001866
SMILES	CCOC(=O)C(C#N)C1=CC=CC=C1
Synonym	ethyl phenylcyanoacetate,phenylcyanoacetic acid ethyl ester,ethyl cyanophenylacetate,ethyl cyano phenyl acetate,ethyl alpha-cyanophenylacetate,ethyl alpha-cyano-alpha-phenylacetate,acetic acid, cyanophenyl-, ethyl ester,alpha-cyanobenzeneacetic acid, ethyl ester,benzeneacetic acid, alpha-cyano-, ethyl ester,benzeneacetic acid, .alpha.-cyano-, ethyl ester
IUPAC Name	ethyl 2-cyano-2-phenylacetate
InChI Key	SXIRJEDGTAKGKU-UHFFFAOYNA-N
Molecular Formula	C11H11NO2

793

2,2-Dimethylvaleric Acid 98.0+%, TCI America™

CAS: 1185-39-3 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00021686 InChI Key: ZRYCZAWRXHAAPZ-UHFFFAOYSA-N Synonym: 2,2-Dimethylpentanoic Acid PubChem CID: 14455 IUPAC Name: 2,2-dimethylpentanoic acid SMILES: CCCC(C)(C)C(=O)O

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Specifications

PubChem CID	14455
CAS	1185-39-3
Molecular Weight (g/mol)	130.187
MDL Number	MFCD00021686
SMILES	CCCC(C)(C)C(=O)O
Synonym	2,2-Dimethylpentanoic Acid
IUPAC Name	2,2-dimethylpentanoic acid
InChI Key	ZRYCZAWRXHAAPZ-UHFFFAOYSA-N
Molecular Formula	C7H14O2

794

2-Methyl-2-propenyl Acetate 98.0+%, TCI America™

CAS: 820-71-3 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.144 MDL Number: MFCD00048215 InChI Key: IVKYUXHYUAMPMT-UHFFFAOYSA-N Synonym: methallyl acetate,2-methylallyl acetate,2-methylprop-2-en-1-yl acetate,2-propen-1-ol, 2-methyl-, acetate,2-methyl-2-propenyl acetate,beta-methallyl acetate,acmc-209pmw,.beta.-methallyl acetate,1-acetoxy-2-methyl-2-propene,acetic acid, 2-methylallylester PubChem CID: 69962 IUPAC Name: 2-methylprop-2-enyl acetate SMILES: CC(=C)COC(=O)C

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PubChem CID	69962
CAS	820-71-3
Molecular Weight (g/mol)	114.144
MDL Number	MFCD00048215
SMILES	CC(=C)COC(=O)C
Synonym	methallyl acetate,2-methylallyl acetate,2-methylprop-2-en-1-yl acetate,2-propen-1-ol, 2-methyl-, acetate,2-methyl-2-propenyl acetate,beta-methallyl acetate,acmc-209pmw,.beta.-methallyl acetate,1-acetoxy-2-methyl-2-propene,acetic acid, 2-methylallylester
IUPAC Name	2-methylprop-2-enyl acetate
InChI Key	IVKYUXHYUAMPMT-UHFFFAOYSA-N
Molecular Formula	C6H10O2

795

Ethyl 1H-Tetrazole-5-acetate 98.0+%, TCI America™

CAS: 13616-37-0 Molecular Formula: C5H8N4O2 Molecular Weight (g/mol): 156.145 MDL Number: MFCD00274213 InChI Key: NAOHMNNTUFFTBF-UHFFFAOYSA-N Synonym: 1H-Tetrazole-5-acetic Acid Ethyl Ester PubChem CID: 543616 IUPAC Name: ethyl 2-(2H-tetrazol-5-yl)acetate SMILES: CCOC(=O)CC1=NNN=N1

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Specifications

PubChem CID	543616
CAS	13616-37-0
Molecular Weight (g/mol)	156.145
MDL Number	MFCD00274213
SMILES	CCOC(=O)CC1=NNN=N1
Synonym	1H-Tetrazole-5-acetic Acid Ethyl Ester
IUPAC Name	ethyl 2-(2H-tetrazol-5-yl)acetate
InChI Key	NAOHMNNTUFFTBF-UHFFFAOYSA-N
Molecular Formula	C5H8N4O2

Monocarboxylic acids and derivatives

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