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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Methyl cinnamate, 98%

CAS: 103-26-4 Molecular Formula: C₁₀H₁₀O₂ Molecular Weight (g/mol): 162.19 MDL Number: MFCD00008458 InChI Key: CCRCUPLGCSFEDV-BQYQJAHWSA-N Synonym: methyl cinnamate,methyl trans-cinnamate,methyl e-cinnamate,cinnamic acid methyl ester,methyl cinnamylate,methyl 3-phenylacrylate,methyl e-3-phenylprop-2-enoate,methyl 3-phenylpropenoate,trans-cinnamic acid methyl ester,trans-methyl cinnamate PubChem CID: 637520 ChEBI: CHEBI:6857 IUPAC Name: methyl (E)-3-phenylprop-2-enoate SMILES: COC(=O)C=CC1=CC=CC=C1

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Specifications

PubChem CID	637520
CAS	103-26-4
Molecular Weight (g/mol)	162.19
ChEBI	CHEBI:6857
MDL Number	MFCD00008458
SMILES	COC(=O)C=CC1=CC=CC=C1
Synonym	methyl cinnamate,methyl trans-cinnamate,methyl e-cinnamate,cinnamic acid methyl ester,methyl cinnamylate,methyl 3-phenylacrylate,methyl e-3-phenylprop-2-enoate,methyl 3-phenylpropenoate,trans-cinnamic acid methyl ester,trans-methyl cinnamate
IUPAC Name	methyl (E)-3-phenylprop-2-enoate
InChI Key	CCRCUPLGCSFEDV-BQYQJAHWSA-N
Molecular Formula	C₁₀H₁₀O₂

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Benzyl cinnamate, 99%

CAS: 103-41-3 Molecular Formula: C16H14O2 Molecular Weight (g/mol): 238.29 MDL Number: MFCD00004789,MFCD00004789,MFCD00004789 InChI Key: NGHOLYJTSCBCGC-VAWYXSNFSA-N Synonym: benzyl alcohol cinnamic ester,benzylcinnamate,benzyl alcohol, cinnamate,wln: r1u1vo1r,benzyl .gamma.-phenylacrylate,benzyl cis-cinnamate,benzyl z-cinnamate,2-propenoic acid, 3-phenyl-, phenylmethyl ester,z-benzyl 3-phenylacrylate,cinnamic acid, benzyl ester, z PubChem CID: 15558051 IUPAC Name: benzyl (Z)-3-phenylprop-2-enoate SMILES: O=C(OCC1=CC=CC=C1)\C=C\C1=CC=CC=C1

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Specifications

PubChem CID	15558051
CAS	103-41-3
Molecular Weight (g/mol)	238.29
MDL Number	MFCD00004789,MFCD00004789,MFCD00004789
SMILES	O=C(OCC1=CC=CC=C1)\C=C\C1=CC=CC=C1
Synonym	benzyl alcohol cinnamic ester,benzylcinnamate,benzyl alcohol, cinnamate,wln: r1u1vo1r,benzyl .gamma.-phenylacrylate,benzyl cis-cinnamate,benzyl z-cinnamate,2-propenoic acid, 3-phenyl-, phenylmethyl ester,z-benzyl 3-phenylacrylate,cinnamic acid, benzyl ester, z
IUPAC Name	benzyl (Z)-3-phenylprop-2-enoate
InChI Key	NGHOLYJTSCBCGC-VAWYXSNFSA-N
Molecular Formula	C16H14O2

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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Specifications

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

Ethyl cinnamate, 98+%

CAS: 103-36-6 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.215 MDL Number: MFCD00009189 InChI Key: KBEBGUQPQBELIU-CMDGGOBGSA-N Synonym: ethyl cinnamate,ethyl 3-phenylacrylate,ethylcinnamate,cinnamic acid ethyl ester,ethylcinnamoate,cinnamic acid, ethyl ester,ethyl trans-cinnamate,e-ethyl cinnamate,ethyl 3-phenyl-2-propenoate,ethyl benzylideneacetate PubChem CID: 637758 ChEBI: CHEBI:4895 IUPAC Name: ethyl (E)-3-phenylprop-2-enoate SMILES: CCOC(=O)C=CC1=CC=CC=C1

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Specifications

PubChem CID	637758
CAS	103-36-6
Molecular Weight (g/mol)	176.215
ChEBI	CHEBI:4895
MDL Number	MFCD00009189
SMILES	CCOC(=O)C=CC1=CC=CC=C1
Synonym	ethyl cinnamate,ethyl 3-phenylacrylate,ethylcinnamate,cinnamic acid ethyl ester,ethylcinnamoate,cinnamic acid, ethyl ester,ethyl trans-cinnamate,e-ethyl cinnamate,ethyl 3-phenyl-2-propenoate,ethyl benzylideneacetate
IUPAC Name	ethyl (E)-3-phenylprop-2-enoate
InChI Key	KBEBGUQPQBELIU-CMDGGOBGSA-N
Molecular Formula	C11H12O2

PubChem CID	15558051
CAS	103-41-3
Molecular Weight (g/mol)	238.29
MDL Number	MFCD00004789,MFCD00004789,MFCD00004789
SMILES	O=C(OCC1=CC=CC=C1)\C=C\C1=CC=CC=C1
Synonym	benzyl alcohol cinnamic ester,benzylcinnamate,benzyl alcohol, cinnamate,wln: r1u1vo1r,benzyl .gamma.-phenylacrylate,benzyl cis-cinnamate,benzyl z-cinnamate,2-propenoic acid, 3-phenyl-, phenylmethyl ester,z-benzyl 3-phenylacrylate,cinnamic acid, benzyl ester, z
IUPAC Name	benzyl (Z)-3-phenylprop-2-enoate
InChI Key	NGHOLYJTSCBCGC-VAWYXSNFSA-N
Molecular Formula	C16H14O2

Ethyl cinnamate, 98% trans

CAS: 103-36-6 Molecular Formula: C₁₁H₁₂O₂ Molecular Weight (g/mol): 176.21 InChI Key: KBEBGUQPQBELIU-CMDGGOBGSA-N Synonym: ethyl cinnamate,ethyl 3-phenylacrylate,ethylcinnamate,cinnamic acid ethyl ester,ethylcinnamoate,cinnamic acid, ethyl ester,ethyl trans-cinnamate,e-ethyl cinnamate,ethyl 3-phenyl-2-propenoate,ethyl benzylideneacetate PubChem CID: 637758 ChEBI: CHEBI:4895 IUPAC Name: ethyl (E)-3-phenylprop-2-enoate SMILES: CCOC(=O)C=CC1=CC=CC=C1

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Specifications

PubChem CID	637758
CAS	103-36-6
Molecular Weight (g/mol)	176.21
ChEBI	CHEBI:4895
SMILES	CCOC(=O)C=CC1=CC=CC=C1
Synonym	ethyl cinnamate,ethyl 3-phenylacrylate,ethylcinnamate,cinnamic acid ethyl ester,ethylcinnamoate,cinnamic acid, ethyl ester,ethyl trans-cinnamate,e-ethyl cinnamate,ethyl 3-phenyl-2-propenoate,ethyl benzylideneacetate
IUPAC Name	ethyl (E)-3-phenylprop-2-enoate
InChI Key	KBEBGUQPQBELIU-CMDGGOBGSA-N
Molecular Formula	C₁₁H₁₂O₂

Methyl cinnamate, predominantly trans, 99%

CAS: 103-26-4 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00008458 InChI Key: CCRCUPLGCSFEDV-BQYQJAHWSA-N Synonym: methyl cinnamate,methyl trans-cinnamate,methyl e-cinnamate,cinnamic acid methyl ester,methyl cinnamylate,methyl 3-phenylacrylate,methyl e-3-phenylprop-2-enoate,methyl 3-phenylpropenoate,trans-cinnamic acid methyl ester,trans-methyl cinnamate PubChem CID: 637520 ChEBI: CHEBI:6857 IUPAC Name: methyl (E)-3-phenylprop-2-enoate SMILES: COC(=O)C=CC1=CC=CC=C1

Pricing and Availability
Specifications

PubChem CID	637520
CAS	103-26-4
Molecular Weight (g/mol)	162.188
ChEBI	CHEBI:6857
MDL Number	MFCD00008458
SMILES	COC(=O)C=CC1=CC=CC=C1
Synonym	methyl cinnamate,methyl trans-cinnamate,methyl e-cinnamate,cinnamic acid methyl ester,methyl cinnamylate,methyl 3-phenylacrylate,methyl e-3-phenylprop-2-enoate,methyl 3-phenylpropenoate,trans-cinnamic acid methyl ester,trans-methyl cinnamate
IUPAC Name	methyl (E)-3-phenylprop-2-enoate
InChI Key	CCRCUPLGCSFEDV-BQYQJAHWSA-N
Molecular Formula	C10H10O2

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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Specifications

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

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Thermo Scientific Chemicals L-Ascorbic acid sodium salt, 99%

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Specifications

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): 168.15 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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Specifications

PubChem CID	122903
CAS	520-45-6
Molecular Weight (g/mol)	168.15
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

1,1-Cyclopropanedicarboxylic acid monomethyl ester, 97%

CAS: 113020-21-6 Molecular Formula: C6H8O4 Molecular Weight (g/mol): 144.126 MDL Number: MFCD06800496 InChI Key: IZYOHLOUZVEIOS-UHFFFAOYSA-N Synonym: 1-methoxycarbonyl cyclopropanecarboxylic acid,1,1-cyclopropanedicarboxylic acid monomethyl ester,1-methoxycarbonyl cyclopropane-1-carboxylic acid,cyclopropane-1,1-dicarboxylic acid, methyl ester,1-methoxycarbonylcyclopropanecarboxylic acid,1,1-cyclopropanedicarboxylic acid-1-methyl ester,1-methoxycarbonyl cyclopropanecarboxylicacid,acmc-1c7y7,methyl cyclopropane-1,1-dicarboxylate,1-methoxycarbonylcyclopropane carboxylic acid PubChem CID: 13861823 IUPAC Name: 1-methoxycarbonylcyclopropane-1-carboxylic acid SMILES: COC(=O)C1(CC1)C(=O)O

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Specifications

PubChem CID	13861823
CAS	113020-21-6
Molecular Weight (g/mol)	144.126
MDL Number	MFCD06800496
SMILES	COC(=O)C1(CC1)C(=O)O
Synonym	1-methoxycarbonyl cyclopropanecarboxylic acid,1,1-cyclopropanedicarboxylic acid monomethyl ester,1-methoxycarbonyl cyclopropane-1-carboxylic acid,cyclopropane-1,1-dicarboxylic acid, methyl ester,1-methoxycarbonylcyclopropanecarboxylic acid,1,1-cyclopropanedicarboxylic acid-1-methyl ester,1-methoxycarbonyl cyclopropanecarboxylicacid,acmc-1c7y7,methyl cyclopropane-1,1-dicarboxylate,1-methoxycarbonylcyclopropane carboxylic acid
IUPAC Name	1-methoxycarbonylcyclopropane-1-carboxylic acid
InChI Key	IZYOHLOUZVEIOS-UHFFFAOYSA-N
Molecular Formula	C6H8O4

4-(Methoxycarbonyl)cyclohexane-1-carboxylic acid, 97%

CAS: 32529-79-6 Molecular Formula: C9H14O4 Molecular Weight (g/mol): 186.207 MDL Number: MFCD06797561 InChI Key: ZQJNPHCQABYENK-UHFFFAOYSA-N Synonym: trans-1,4-cyclohexanedicarboxylic acid monomethyl ester,cis-4-methoxycarbonyl cyclohexanecarboxylic acid,trans-4-methoxycarbonyl cyclohexanecarboxylic acid,4-methoxycarbonyl cyclohexanecarboxylic acid,1r,4r-4-methoxycarbonyl cyclohexanecarboxylic acid,4-methoxycarbonyl cyclohexane-1-carboxylic acid,4-carbomethoxy-cyclohexane-1-carboxylic acid,trans-4-carbomethoxycyclohexane-1-carboxylic acid,1r,4r-4-methoxycarbonyl cyclohexane-1-carboxylic acid,trans-1,4-cyclohexane dicarboxylic acid monomethyl ester PubChem CID: 296850 IUPAC Name: 4-methoxycarbonylcyclohexane-1-carboxylic acid SMILES: COC(=O)C1CCC(CC1)C(=O)O

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Specifications

PubChem CID	296850
CAS	32529-79-6
Molecular Weight (g/mol)	186.207
MDL Number	MFCD06797561
SMILES	COC(=O)C1CCC(CC1)C(=O)O
Synonym	trans-1,4-cyclohexanedicarboxylic acid monomethyl ester,cis-4-methoxycarbonyl cyclohexanecarboxylic acid,trans-4-methoxycarbonyl cyclohexanecarboxylic acid,4-methoxycarbonyl cyclohexanecarboxylic acid,1r,4r-4-methoxycarbonyl cyclohexanecarboxylic acid,4-methoxycarbonyl cyclohexane-1-carboxylic acid,4-carbomethoxy-cyclohexane-1-carboxylic acid,trans-4-carbomethoxycyclohexane-1-carboxylic acid,1r,4r-4-methoxycarbonyl cyclohexane-1-carboxylic acid,trans-1,4-cyclohexane dicarboxylic acid monomethyl ester
IUPAC Name	4-methoxycarbonylcyclohexane-1-carboxylic acid
InChI Key	ZQJNPHCQABYENK-UHFFFAOYSA-N
Molecular Formula	C9H14O4

2-(3-Methoxyallylidene)malonic acid dimethyl ester, 95%

CAS: 41530-32-9 Molecular Formula: C₉H₁₂O₅ Molecular Weight (g/mol): 200.19 InChI Key: NOBNTZJTOBIOHL-GQCTYLIASA-N Synonym: 2-3-methoxyallylidene malonic acid dimethyl ester,dimethyl 2-3-methoxyallylidene malonate,1,3-dimethyl 2-2e-3-methoxyprop-2-en-1-ylidene propanedioate,2-3-methoxyallylidene malonic acid dimethyl ester, 96,dimethyl 2-e-3-methoxyprop-2-enylidene propanedioate,propanedioic acid, 3-methoxy-2-propenylidene-, dimethyl ester,dimethyl e-2-3-methoxyallylidene malonate,3-methoxy-2-propenylidene malonic acid dimethyl ester,dimethyl 2-2e-3-methoxy-2-propenylidene malonate # PubChem CID: 5374172 IUPAC Name: dimethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate SMILES: COC=CC=C(C(=O)OC)C(=O)OC

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Specifications

PubChem CID	5374172
CAS	41530-32-9
Molecular Weight (g/mol)	200.19
SMILES	COC=CC=C(C(=O)OC)C(=O)OC
Synonym	2-3-methoxyallylidene malonic acid dimethyl ester,dimethyl 2-3-methoxyallylidene malonate,1,3-dimethyl 2-2e-3-methoxyprop-2-en-1-ylidene propanedioate,2-3-methoxyallylidene malonic acid dimethyl ester, 96,dimethyl 2-e-3-methoxyprop-2-enylidene propanedioate,propanedioic acid, 3-methoxy-2-propenylidene-, dimethyl ester,dimethyl e-2-3-methoxyallylidene malonate,3-methoxy-2-propenylidene malonic acid dimethyl ester,dimethyl 2-2e-3-methoxy-2-propenylidene malonate #
IUPAC Name	dimethyl 2-[(E)-3-methoxyprop-2-enylidene]propanedioate
InChI Key	NOBNTZJTOBIOHL-GQCTYLIASA-N
Molecular Formula	C₉H₁₂O₅

(1S,3R)-cis-3-(Methoxycarbonyl)cyclopentane-1-carboxylic acid, 97%

CAS: 96443-42-4 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD04972280 InChI Key: FVUHGTQDOMGZOT-NTSWFWBYSA-N Synonym: 1s,3r-3-methoxycarbonyl cyclopentanecarboxylic acid,1s,3r-3-methoxycarbonyl cyclopentane-1-carboxylic acid,1r,3s-1,3-cyclopentanedicarboxylic acid 1-methyl ester,1s,3r-cis-3-carbomethoxy cyclopentane-1-carboxylic acid,cis-3-methoxycarbonyl cyclopentancarboxylic acid,1s,3r-cis-3-carbomethoxy cyclopentane-1-carboxyl,1,3-cyclopentanedicarboxylicacid,1-methyl ester, 1r,3s,1r-cis-1,3-cyclopentanedicarboxylic acid monomethyl ester,1,3-cyclopentanedicarboxylic acid, 1-methyl ester, 1r,3s PubChem CID: 10888375 IUPAC Name: (1S,3R)-3-methoxycarbonylcyclopentane-1-carboxylic acid SMILES: COC(=O)C1CCC(C1)C(=O)O

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Specifications

PubChem CID	10888375
CAS	96443-42-4
Molecular Weight (g/mol)	172.18
MDL Number	MFCD04972280
SMILES	COC(=O)C1CCC(C1)C(=O)O
Synonym	1s,3r-3-methoxycarbonyl cyclopentanecarboxylic acid,1s,3r-3-methoxycarbonyl cyclopentane-1-carboxylic acid,1r,3s-1,3-cyclopentanedicarboxylic acid 1-methyl ester,1s,3r-cis-3-carbomethoxy cyclopentane-1-carboxylic acid,cis-3-methoxycarbonyl cyclopentancarboxylic acid,1s,3r-cis-3-carbomethoxy cyclopentane-1-carboxyl,1,3-cyclopentanedicarboxylicacid,1-methyl ester, 1r,3s,1r-cis-1,3-cyclopentanedicarboxylic acid monomethyl ester,1,3-cyclopentanedicarboxylic acid, 1-methyl ester, 1r,3s
IUPAC Name	(1S,3R)-3-methoxycarbonylcyclopentane-1-carboxylic acid
InChI Key	FVUHGTQDOMGZOT-NTSWFWBYSA-N
Molecular Formula	C8H12O4

L-Ascorbic Acid Sodium Salt, MP Biomedicals

Pricing and Availability
Specifications

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

Carboxylic acid esters

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