Carboxylic acid esters

Organic compounds that are directly derived from carboxylic acid, and contain an ester functional group substitution; ester groups contain an oxygen atom that is bonded to two carbon atoms or organic groups via single bonds.

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1 – 15 of 526 results

Methyl 4-chlorocinnamate, 99%

CAS: 7560-44-3 Molecular Formula: C10H9ClO2 Molecular Weight (g/mol): 196.63 MDL Number: MFCD00075790 InChI Key: IIBXQGYKZKOORG-QPJJXVBHSA-N Synonym: methyl 4-chlorocinnamate,methyl p-chlorocinnamate,methyl 3-4-chlorophenyl acrylate,4-chlorocinnamic acid methyl ester,cinnamic acid, p-chloro-, methyl ester,2-propenoic acid, 3-4-chlorophenyl-, methyl ester,methyl e-3-4-chlorophenyl prop-2-enoate,e-methyl 3-4-chlorophenyl acrylate,methyl 2e-3-4-chlorophenyl prop-2-enoate,methyl 3-4-chlorophenyl prop-2-enoate PubChem CID: 5314314 IUPAC Name: methyl (E)-3-(4-chlorophenyl)prop-2-enoate SMILES: COC(=O)C=CC1=CC=C(C=C1)Cl

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PubChem CID	5314314
CAS	7560-44-3
Molecular Weight (g/mol)	196.63
MDL Number	MFCD00075790
SMILES	COC(=O)C=CC1=CC=C(C=C1)Cl
Synonym	methyl 4-chlorocinnamate,methyl p-chlorocinnamate,methyl 3-4-chlorophenyl acrylate,4-chlorocinnamic acid methyl ester,cinnamic acid, p-chloro-, methyl ester,2-propenoic acid, 3-4-chlorophenyl-, methyl ester,methyl e-3-4-chlorophenyl prop-2-enoate,e-methyl 3-4-chlorophenyl acrylate,methyl 2e-3-4-chlorophenyl prop-2-enoate,methyl 3-4-chlorophenyl prop-2-enoate
IUPAC Name	methyl (E)-3-(4-chlorophenyl)prop-2-enoate
InChI Key	IIBXQGYKZKOORG-QPJJXVBHSA-N
Molecular Formula	C10H9ClO2

Ethyl 4,4,4-trifluoro-2-butynoate, 97%

CAS: 79424-03-6 Molecular Formula: C6H5F3O2 Molecular Weight (g/mol): 166.099 MDL Number: MFCD00192167 InChI Key: SFDRHPQGYUYYNX-UHFFFAOYSA-N PubChem CID: 3597254 IUPAC Name: ethyl 4,4,4-trifluorobut-2-ynoate SMILES: CCOC(=O)C#CC(F)(F)F

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Specifications

PubChem CID	3597254
CAS	79424-03-6
Molecular Weight (g/mol)	166.099
MDL Number	MFCD00192167
SMILES	CCOC(=O)C#CC(F)(F)F
IUPAC Name	ethyl 4,4,4-trifluorobut-2-ynoate
InChI Key	SFDRHPQGYUYYNX-UHFFFAOYSA-N
Molecular Formula	C6H5F3O2

Octyl 4-methoxycinnamate, 98%, stabilized

CAS: 5466-77-3 Molecular Formula: C18H26O3 Molecular Weight (g/mol): 290.40 MDL Number: MFCD00072582 InChI Key: YBGZDTIWKVFICR-UHFFFAOYNA-N Synonym: bidd:er0152,octyl methoxy cinnamate omc,unii-4y5p7mud51 component,2s-2-ethylhexyl 2e-3-4-methoxyphenyl prop-2-enoate PubChem CID: 11044481 IUPAC Name: [(2S)-2-ethylhexyl] (E)-3-(4-methoxyphenyl)prop-2-enoate SMILES: CCCCC(CC)COC(=O)C=CC1=CC=C(OC)C=C1

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Specifications

PubChem CID	11044481
CAS	5466-77-3
Molecular Weight (g/mol)	290.40
MDL Number	MFCD00072582
SMILES	CCCCC(CC)COC(=O)C=CC1=CC=C(OC)C=C1
Synonym	bidd:er0152,octyl methoxy cinnamate omc,unii-4y5p7mud51 component,2s-2-ethylhexyl 2e-3-4-methoxyphenyl prop-2-enoate
IUPAC Name	[(2S)-2-ethylhexyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
InChI Key	YBGZDTIWKVFICR-UHFFFAOYNA-N
Molecular Formula	C18H26O3

Ethyl sorbate, 96%

CAS: 2396-84-1 Molecular Formula: C8H12O2 Molecular Weight (g/mol): 140.18 MDL Number: MFCD00009296 InChI Key: OZZYKXXGCOLLLO-TWTPFVCWSA-N Synonym: ethyl sorbate,ethyl 2,4-hexadienoate,ethyl hexa-2,4-dienoate,sorbic acid, ethyl ester,2,4-hexadienoic acid, ethyl ester,ethyl 2e,4e-hexa-2,4-dienoate,ethyl e,e-2,4-hexadienoate,unii-hsr16usg4d,2,4-hexadienoic acid, ethyl ester, 2e,4e,fema no. 2459 PubChem CID: 1550470 IUPAC Name: ethyl (2E,4E)-hexa-2,4-dienoate SMILES: CCOC(=O)\C=C\C=C\C

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Specifications

PubChem CID	1550470
CAS	2396-84-1
Molecular Weight (g/mol)	140.18
MDL Number	MFCD00009296
SMILES	CCOC(=O)\C=C\C=C\C
Synonym	ethyl sorbate,ethyl 2,4-hexadienoate,ethyl hexa-2,4-dienoate,sorbic acid, ethyl ester,2,4-hexadienoic acid, ethyl ester,ethyl 2e,4e-hexa-2,4-dienoate,ethyl e,e-2,4-hexadienoate,unii-hsr16usg4d,2,4-hexadienoic acid, ethyl ester, 2e,4e,fema no. 2459
IUPAC Name	ethyl (2E,4E)-hexa-2,4-dienoate
InChI Key	OZZYKXXGCOLLLO-TWTPFVCWSA-N
Molecular Formula	C8H12O2

Methyl chlorodifluoroacetate, 98%

CAS: 1514-87-0 Molecular Formula: C3H3ClF2O2 Molecular Weight (g/mol): 144.502 MDL Number: MFCD00000775 InChI Key: AWUPLMYXZJKHEG-UHFFFAOYSA-N Synonym: methyl chlorodifluoroacetate,chlorodifluoroacetic acid methyl ester,acetic acid, chlorodifluoro-, methyl ester,methyl difluorochloroacetic acid,methyl chloro difluoro acetate,acetic acid, 2-chloro-2,2-difluoro-, methyl ester,methyl-2-chloro-2,2-difluoroacetate,chloro-difluoro-acetic acid methyl ester,clcf2coome,clcf2co2me PubChem CID: 73935 IUPAC Name: methyl 2-chloro-2,2-difluoroacetate SMILES: COC(=O)C(F)(F)Cl

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PubChem CID	73935
CAS	1514-87-0
Molecular Weight (g/mol)	144.502
MDL Number	MFCD00000775
SMILES	COC(=O)C(F)(F)Cl
Synonym	methyl chlorodifluoroacetate,chlorodifluoroacetic acid methyl ester,acetic acid, chlorodifluoro-, methyl ester,methyl difluorochloroacetic acid,methyl chloro difluoro acetate,acetic acid, 2-chloro-2,2-difluoro-, methyl ester,methyl-2-chloro-2,2-difluoroacetate,chloro-difluoro-acetic acid methyl ester,clcf2coome,clcf2co2me
IUPAC Name	methyl 2-chloro-2,2-difluoroacetate
InChI Key	AWUPLMYXZJKHEG-UHFFFAOYSA-N
Molecular Formula	C3H3ClF2O2

Methyl indole-2-carboxylate, 97%

CAS: 1202-04-6 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00460779 InChI Key: NQPIEWBAWBFGOB-UHFFFAOYSA-N Synonym: methyl indole-2-carboxylate,indole-2-carboxylic acid methyl ester,methyl 2-indolecarboxylate,1h-indole-2-carboxylic acid methyl ester,1h-indole-2-carboxylic acid, methyl ester,ethyl-indole-2-caboxylate,pubchem7284,2-methoxycarbonylindole,methylindole-2-carboxylate,buttpark 99\04-61 PubChem CID: 70992 IUPAC Name: methyl 1H-indole-2-carboxylate SMILES: COC(=O)C1=CC2=CC=CC=C2N1

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Specifications

PubChem CID	70992
CAS	1202-04-6
Molecular Weight (g/mol)	175.19
MDL Number	MFCD00460779
SMILES	COC(=O)C1=CC2=CC=CC=C2N1
Synonym	methyl indole-2-carboxylate,indole-2-carboxylic acid methyl ester,methyl 2-indolecarboxylate,1h-indole-2-carboxylic acid methyl ester,1h-indole-2-carboxylic acid, methyl ester,ethyl-indole-2-caboxylate,pubchem7284,2-methoxycarbonylindole,methylindole-2-carboxylate,buttpark 99\04-61
IUPAC Name	methyl 1H-indole-2-carboxylate
InChI Key	NQPIEWBAWBFGOB-UHFFFAOYSA-N
Molecular Formula	C10H9NO2

Methyl 4-bromocrotonate, tech. 85%

CAS: 1117-71-1 Molecular Formula: C5H7BrO2 Molecular Weight (g/mol): 179.01 MDL Number: MFCD00000246,MFCD09998308 InChI Key: RWIKCBHOVNDESJ-NSCUHMNNSA-N Synonym: methyl 4-bromocrotonate,e-methyl 4-bromobut-2-enoate,4-bromocrotonic acid methyl ester,methyl gamma-bromocrotonate,methyl bromocrotonate,methyl 4-bromo-2-butenoate,2-butenoic acid, 4-bromo-, methyl ester,methyl 4-bromobut-2-enoate,methyl 2e-4-bromobut-2-enoate,crotonic acid, 4-bromo-, methyl ester PubChem CID: 5369175 IUPAC Name: methyl (E)-4-bromobut-2-enoate SMILES: COC(=O)\C=C\CBr

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Specifications

PubChem CID	5369175
CAS	1117-71-1
Molecular Weight (g/mol)	179.01
MDL Number	MFCD00000246,MFCD09998308
SMILES	COC(=O)\C=C\CBr
Synonym	methyl 4-bromocrotonate,e-methyl 4-bromobut-2-enoate,4-bromocrotonic acid methyl ester,methyl gamma-bromocrotonate,methyl bromocrotonate,methyl 4-bromo-2-butenoate,2-butenoic acid, 4-bromo-, methyl ester,methyl 4-bromobut-2-enoate,methyl 2e-4-bromobut-2-enoate,crotonic acid, 4-bromo-, methyl ester
IUPAC Name	methyl (E)-4-bromobut-2-enoate
InChI Key	RWIKCBHOVNDESJ-NSCUHMNNSA-N
Molecular Formula	C5H7BrO2

Ethyl crotonate, 98%

CAS: 623-70-1 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00009289 InChI Key: ZFDIRQKJPRINOQ-HWKANZROSA-N Synonym: ethyl crotonate,ethyl trans-crotonate,ethyl e-but-2-enoate,ethyl trans-2-butenoate,crotonic acid, ethyl ester,2-butenoic acid, ethyl ester, 2e,ethyl e-2-butenoate,2-butenoic acid, ethyl ester,ethyl 2e-but-2-enoate,crotonic acid, ethyl ester, e PubChem CID: 429065 IUPAC Name: ethyl (E)-but-2-enoate SMILES: CCOC(=O)\C=C\C

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PubChem CID	429065
CAS	623-70-1
Molecular Weight (g/mol)	114.14
MDL Number	MFCD00009289
SMILES	CCOC(=O)\C=C\C
Synonym	ethyl crotonate,ethyl trans-crotonate,ethyl e-but-2-enoate,ethyl trans-2-butenoate,crotonic acid, ethyl ester,2-butenoic acid, ethyl ester, 2e,ethyl e-2-butenoate,2-butenoic acid, ethyl ester,ethyl 2e-but-2-enoate,crotonic acid, ethyl ester, e
IUPAC Name	ethyl (E)-but-2-enoate
InChI Key	ZFDIRQKJPRINOQ-HWKANZROSA-N
Molecular Formula	C6H10O2

Methyl 3-mercaptopropionate, 98%

CAS: 2935-90-2 Molecular Formula: C₄H₈O₂S Molecular Weight (g/mol): 120.17 MDL Number: MFCD00004895 InChI Key: LDTLDBDUBGAEDT-UHFFFAOYSA-N PubChem CID: 18050 IUPAC Name: methyl 3-sulfanylpropanoate SMILES: COC(=O)CCS

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PubChem CID	18050
CAS	2935-90-2
Molecular Weight (g/mol)	120.17
MDL Number	MFCD00004895
SMILES	COC(=O)CCS
IUPAC Name	methyl 3-sulfanylpropanoate
InChI Key	LDTLDBDUBGAEDT-UHFFFAOYSA-N
Molecular Formula	C₄H₈O₂S

L-Ascorbic acid sodium salt, 99%

CAS: 134-03-2 Molecular Formula: C6H7NaO6 Molecular Weight (g/mol): 198.11 MDL Number: MFCD00082340 InChI Key: IFVCRSPJFHGFCG-HXPAKLQESA-N Synonym: sodium ascorbate,l-ascorbic acid sodium salt,sodium l-ascorbate,vitamin c sodium,ascorbicin,sodascorbate,cebitate,aminofenitrooxon,natrii ascorbas,monosodium l-ascorbate PubChem CID: 131674100 IUPAC Name: sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide SMILES: [Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O

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PubChem CID	131674100
CAS	134-03-2
Molecular Weight (g/mol)	198.11
MDL Number	MFCD00082340
SMILES	[Na+].OC[C@H](O)C1OC(=O)[C-](O)C1=O
Synonym	sodium ascorbate,l-ascorbic acid sodium salt,sodium l-ascorbate,vitamin c sodium,ascorbicin,sodascorbate,cebitate,aminofenitrooxon,natrii ascorbas,monosodium l-ascorbate
IUPAC Name	sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-2,4-dioxooxolan-3-ide
InChI Key	IFVCRSPJFHGFCG-HXPAKLQESA-N
Molecular Formula	C6H7NaO6

Dehydroacetic acid, 98%

CAS: 520-45-6 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00066709 InChI Key: PGRHXDWITVMQBC-UHFFFAOYSA-N Synonym: dehydroacetic acid,3-acetyl-6-methyl-2h-pyran-2,4 3h-dione,methylacetopyronone,dehydracetic acid,biocide 470f,acetic acid, dehydro,3-acetyl-6-methyl-2,4-pyrandione,2h-pyran-2,4 3h-dione, 3-acetyl-6-methyl,3-acetyl-6-methyl-pyran-2,4-dione,3-acetyl-6-methyldihydropyrandione-2,4 PubChem CID: 122903 IUPAC Name: 3-acetyl-6-methylpyran-2,4-dione SMILES: CC1=CC(=O)C(C(=O)O1)C(=O)C

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PubChem CID	122903
CAS	520-45-6
Molecular Weight (g/mol)	168.148
MDL Number	MFCD00066709
SMILES	CC1=CC(=O)C(C(=O)O1)C(=O)C
Synonym	dehydroacetic acid,3-acetyl-6-methyl-2h-pyran-2,4 3h-dione,methylacetopyronone,dehydracetic acid,biocide 470f,acetic acid, dehydro,3-acetyl-6-methyl-2,4-pyrandione,2h-pyran-2,4 3h-dione, 3-acetyl-6-methyl,3-acetyl-6-methyl-pyran-2,4-dione,3-acetyl-6-methyldihydropyrandione-2,4
IUPAC Name	3-acetyl-6-methylpyran-2,4-dione
InChI Key	PGRHXDWITVMQBC-UHFFFAOYSA-N
Molecular Formula	C8H8O4

Methyl glycolate, 98%

CAS: 96-35-5 Molecular Formula: C3H6O3 Molecular Weight (g/mol): 90.078 MDL Number: MFCD00004667 InChI Key: GSJFXBNYJCXDGI-UHFFFAOYSA-N Synonym: methyl glycolate,methyl hydroxyacetate,acetic acid, hydroxy-, methyl ester,glycolic acid, methyl ester,acetic acid, 2-hydroxy-, methyl ester,glycolic acid methyl ester,unii-7g7r729ej0,hydroxyacetic acid methyl ester,glycolic acid methyl,methyl2-hydroxyethanoate PubChem CID: 66774 IUPAC Name: methyl 2-hydroxyacetate SMILES: COC(=O)CO

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Specifications

PubChem CID	66774
CAS	96-35-5
Molecular Weight (g/mol)	90.078
MDL Number	MFCD00004667
SMILES	COC(=O)CO
Synonym	methyl glycolate,methyl hydroxyacetate,acetic acid, hydroxy-, methyl ester,glycolic acid, methyl ester,acetic acid, 2-hydroxy-, methyl ester,glycolic acid methyl ester,unii-7g7r729ej0,hydroxyacetic acid methyl ester,glycolic acid methyl,methyl2-hydroxyethanoate
IUPAC Name	methyl 2-hydroxyacetate
InChI Key	GSJFXBNYJCXDGI-UHFFFAOYSA-N
Molecular Formula	C3H6O3

Methyl 2-nonynoate, 98%, Thermo Scientific Chemicals

CAS: 111-80-8 Molecular Formula: C10H16O2 Molecular Weight (g/mol): 168.236 MDL Number: MFCD00009547 InChI Key: NTLJTUMJJWVCTL-UHFFFAOYSA-N Synonym: methyl 2-nonynoate,2-nonynoic acid methyl ester,methyl octine carbonate,methyl octyne carbonate,2-nonynoic acid, methyl ester,methyloctyne carboxylate,methyloctyne carbonate,methyl octin carbonate,octynecarboxylic acid, methyl ester,methyl octynecarboxylate PubChem CID: 8137 ChEBI: CHEBI:51749 IUPAC Name: methyl non-2-ynoate SMILES: CCCCCCC#CC(=O)OC

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Specifications

PubChem CID	8137
CAS	111-80-8
Molecular Weight (g/mol)	168.236
ChEBI	CHEBI:51749
MDL Number	MFCD00009547
SMILES	CCCCCCC#CC(=O)OC
Synonym	methyl 2-nonynoate,2-nonynoic acid methyl ester,methyl octine carbonate,methyl octyne carbonate,2-nonynoic acid, methyl ester,methyloctyne carboxylate,methyloctyne carbonate,methyl octin carbonate,octynecarboxylic acid, methyl ester,methyl octynecarboxylate
IUPAC Name	methyl non-2-ynoate
InChI Key	NTLJTUMJJWVCTL-UHFFFAOYSA-N
Molecular Formula	C10H16O2

Methyl 4-aminobenzoate, 98%

CAS: 619-45-4 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00007891 InChI Key: LZXXNPOYQCLXRS-UHFFFAOYSA-N Synonym: 4-aminobenzoic acid methyl ester,methyl p-aminobenzoate,benzoic acid, 4-amino-, methyl ester,p-methoxycarbonyl aniline,4-methoxycarbonyl aniline,p-aminobenzoic acid methyl ester,methyl aniline-4-carboxylate,4-carbomethoxyaniline,methyl4-aminobenzoate,benzoic acid, p-amino-, methyl ester PubChem CID: 12082 IUPAC Name: methyl 4-aminobenzoate SMILES: COC(=O)C1=CC=C(C=C1)N

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Specifications

PubChem CID	12082
CAS	619-45-4
Molecular Weight (g/mol)	151.165
MDL Number	MFCD00007891
SMILES	COC(=O)C1=CC=C(C=C1)N
Synonym	4-aminobenzoic acid methyl ester,methyl p-aminobenzoate,benzoic acid, 4-amino-, methyl ester,p-methoxycarbonyl aniline,4-methoxycarbonyl aniline,p-aminobenzoic acid methyl ester,methyl aniline-4-carboxylate,4-carbomethoxyaniline,methyl4-aminobenzoate,benzoic acid, p-amino-, methyl ester
IUPAC Name	methyl 4-aminobenzoate
InChI Key	LZXXNPOYQCLXRS-UHFFFAOYSA-N
Molecular Formula	C8H9NO2

(S)-2-Isopropylsuccinic acid-1-methyl ester, 95%, 98% ee

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Carboxylic acid esters

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