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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 54 results
1

n-Butylidenephthalide, (E)+(Z), 95%

CAS: 551-08-6 Molecular Formula: C12H12O2 Molecular Weight (g/mol): 188.23 MDL Number: MFCD00047319,MFCD00047319 InChI Key: WMBOCUXXNSOQHM-DHZHZOJOSA-N Synonym: ligusticum lactone,butylidene phthalide,n-butylidene phthalide,3-butylidene-1 3h-isobenzofuranone,3-butylidenephthalide,phthalide, 3-butylidene,fema no. 3333,bdph,3-butylidene phthalide,1 3h-isobenzofuranone, 3-butylidene PubChem CID: 5352899 IUPAC Name: (3E)-3-butylidene-2-benzofuran-1-one SMILES: CCC\C=C1\OC(=O)C2=CC=CC=C12

PubChem CID 5352899
CAS 551-08-6
Molecular Weight (g/mol) 188.23
MDL Number MFCD00047319,MFCD00047319
SMILES CCC\C=C1\OC(=O)C2=CC=CC=C12
Synonym ligusticum lactone,butylidene phthalide,n-butylidene phthalide,3-butylidene-1 3h-isobenzofuranone,3-butylidenephthalide,phthalide, 3-butylidene,fema no. 3333,bdph,3-butylidene phthalide,1 3h-isobenzofuranone, 3-butylidene
IUPAC Name (3E)-3-butylidene-2-benzofuran-1-one
InChI Key WMBOCUXXNSOQHM-DHZHZOJOSA-N
Molecular Formula C12H12O2
2

Ethyl 3-(trifluoromethyl)crotonate, (E)+(Z), 96%

CAS: 24490-03-7 Molecular Formula: C7H9F3O2 Molecular Weight (g/mol): 182.14 MDL Number: MFCD00040846 InChI Key: OSZLARYVWBUKTG-SNAWJCMRSA-N Synonym: ethyl 4,4,4-trifluoro-3-methylbut-2-enoate,ethyl 3-trifluoromethyl crotonate,ethyl 2e-4,4,4-trifluoro-3-methylbut-2-enoate,ethyl 3-trifluoromethyl crotonate, cis + trans,ethyl e-4,4,4-trifluoro-3-methylbut-2-enoate,e-3-trifluoromethyl-2-butenoic acid ethyl ester PubChem CID: 5838607 IUPAC Name: ethyl (E)-4,4,4-trifluoro-3-methylbut-2-enoate SMILES: CCOC(=O)\C=C(/C)C(F)(F)F

PubChem CID 5838607
CAS 24490-03-7
Molecular Weight (g/mol) 182.14
MDL Number MFCD00040846
SMILES CCOC(=O)\C=C(/C)C(F)(F)F
Synonym ethyl 4,4,4-trifluoro-3-methylbut-2-enoate,ethyl 3-trifluoromethyl crotonate,ethyl 2e-4,4,4-trifluoro-3-methylbut-2-enoate,ethyl 3-trifluoromethyl crotonate, cis + trans,ethyl e-4,4,4-trifluoro-3-methylbut-2-enoate,e-3-trifluoromethyl-2-butenoic acid ethyl ester
IUPAC Name ethyl (E)-4,4,4-trifluoro-3-methylbut-2-enoate
InChI Key OSZLARYVWBUKTG-SNAWJCMRSA-N
Molecular Formula C7H9F3O2
3
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Dimethyl fumarate, 99%

CAS: 624-49-7 Molecular Formula: C6H8O4 Molecular Weight (g/mol): 144.13 MDL Number: MFCD00064438 InChI Key: LDCRTTXIJACKKU-ONEGZZNKSA-N Synonym: dimethyl fumarate,tecfidera,e-dimethyl fumarate,fumaderm,dimethyl e-but-2-enedioate,fumaric acid, dimethyl ester,boletic acid dimethyl ester,fumaric acid dimethyl ester,methyl fumarate,dimethyl trans-ethylenedicarboxylate PubChem CID: 637568 ChEBI: CHEBI:76004 IUPAC Name: dimethyl (E)-but-2-enedioate SMILES: COC(=O)C=CC(=O)OC

EDGE
PubChem CID 637568
CAS 624-49-7
Molecular Weight (g/mol) 144.13
ChEBI CHEBI:76004
MDL Number MFCD00064438
SMILES COC(=O)C=CC(=O)OC
Synonym dimethyl fumarate,tecfidera,e-dimethyl fumarate,fumaderm,dimethyl e-but-2-enedioate,fumaric acid, dimethyl ester,boletic acid dimethyl ester,fumaric acid dimethyl ester,methyl fumarate,dimethyl trans-ethylenedicarboxylate
IUPAC Name dimethyl (E)-but-2-enedioate
InChI Key LDCRTTXIJACKKU-ONEGZZNKSA-N
Molecular Formula C6H8O4
4

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

EDGE
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
5

Methyl tiglate, 98%

CAS: 6622-76-0 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00016654 InChI Key: YYJWBYNQJLBIGS-PLNGDYQASA-N Synonym: methyl tiglate,tiglic acid methyl ester,methyl 2-methylbut-2-enoate,methyl 2-methyl-2-butenoate,methyl e-2-methylcrotonate,methyl 2-methylcrotonate,methyl alpha-methylcrotonate,methyl trans-2-methylcrotonate,2-butenoic acid, 2-methyl-, methyl ester, e,crotonic acid, 2-methyl-, methyl ester, e PubChem CID: 5323652 IUPAC Name: methyl (E)-2-methylbut-2-enoate SMILES: COC(=O)C(\C)=C/C

PubChem CID 5323652
CAS 6622-76-0
Molecular Weight (g/mol) 114.14
MDL Number MFCD00016654
SMILES COC(=O)C(\C)=C/C
Synonym methyl tiglate,tiglic acid methyl ester,methyl 2-methylbut-2-enoate,methyl 2-methyl-2-butenoate,methyl e-2-methylcrotonate,methyl 2-methylcrotonate,methyl alpha-methylcrotonate,methyl trans-2-methylcrotonate,2-butenoic acid, 2-methyl-, methyl ester, e,crotonic acid, 2-methyl-, methyl ester, e
IUPAC Name methyl (E)-2-methylbut-2-enoate
InChI Key YYJWBYNQJLBIGS-PLNGDYQASA-N
Molecular Formula C6H10O2
6

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

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
7
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trans-Ethyl crotonate, 96%

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

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
8

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

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
9

Ethyl 4-bromocrotonate, tech. 80%

CAS: 37746-78-4 Molecular Formula: C6H9BrO2 Molecular Weight (g/mol): 193.04 MDL Number: MFCD00000247 InChI Key: FHGRPBSDPBRTLS-ONEGZZNKSA-N Synonym: ethyl 4-bromocrotonate,e-ethyl 4-bromobut-2-enoate,ethyl 4-bromobut-2-enoate,4-bromocrotonic acid ethyl ester,ethyl 2e-4-bromobut-2-enoate,2-butenoic acid, 4-bromo-, ethyl ester, e,2-butenoic acid, 4-bromo-, ethyl ester,ethyl e-4-bromo-2-butenoate,ethyl e-4-bromobut-2-enoate,ethyl trans-4-bromo-2-butenoate PubChem CID: 5373944 IUPAC Name: ethyl (E)-4-bromobut-2-enoate SMILES: CCOC(=O)C=CCBr

PubChem CID 5373944
CAS 37746-78-4
Molecular Weight (g/mol) 193.04
MDL Number MFCD00000247
SMILES CCOC(=O)C=CCBr
Synonym ethyl 4-bromocrotonate,e-ethyl 4-bromobut-2-enoate,ethyl 4-bromobut-2-enoate,4-bromocrotonic acid ethyl ester,ethyl 2e-4-bromobut-2-enoate,2-butenoic acid, 4-bromo-, ethyl ester, e,2-butenoic acid, 4-bromo-, ethyl ester,ethyl e-4-bromo-2-butenoate,ethyl e-4-bromobut-2-enoate,ethyl trans-4-bromo-2-butenoate
IUPAC Name ethyl (E)-4-bromobut-2-enoate
InChI Key FHGRPBSDPBRTLS-ONEGZZNKSA-N
Molecular Formula C6H9BrO2
10

Methyl trans-2-pentenoate, 95%

CAS: 15790-88-2 Molecular Formula: C6H10O2 Molecular Weight (g/mol): 114.14 MDL Number: MFCD00137611 InChI Key: MBAHGFJTIVZLFB-SNAWJCMRSA-N Synonym: methyl 2-pentenoate,methyl trans-2-pentenoate,methyl 2e-pent-2-enoate,2-pentenoic acid, methyl ester,2-pentenoic acid, methyl ester, e,methyl 3-ethylacrylate,methyl 2-transpentenoate,methyl 2-trans-pentenoate,methyl e-2-pentenoate,trans-methyl pent-2-enoate PubChem CID: 5364718 SMILES: CC\C=C\C(=O)OC

PubChem CID 5364718
CAS 15790-88-2
Molecular Weight (g/mol) 114.14
MDL Number MFCD00137611
SMILES CC\C=C\C(=O)OC
Synonym methyl 2-pentenoate,methyl trans-2-pentenoate,methyl 2e-pent-2-enoate,2-pentenoic acid, methyl ester,2-pentenoic acid, methyl ester, e,methyl 3-ethylacrylate,methyl 2-transpentenoate,methyl 2-trans-pentenoate,methyl e-2-pentenoate,trans-methyl pent-2-enoate
InChI Key MBAHGFJTIVZLFB-SNAWJCMRSA-N
Molecular Formula C6H10O2
11

Methyl trans-2-hexenoate, 97%

CAS: 13894-63-8 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 MDL Number: MFCD00048798 InChI Key: GFUGBRNILVVWIE-AATRIKPKSA-N Synonym: methyl 2-hexenoate,methyl e-2-hexenoate,methyl trans-2-hexenoate,methyl e-hex-2-enoate,methyl 2e-hexenoate,methyl 2e-hex-2-enoate,2-hexenoic acid, methyl ester, e,methyl 2e-2-hexenoate,2e-2-hexenoic acid methyl ester,unii-x2ddu82182 PubChem CID: 5364409 IUPAC Name: methyl (E)-hex-2-enoate SMILES: CCCC=CC(=O)OC

PubChem CID 5364409
CAS 13894-63-8
Molecular Weight (g/mol) 128.171
MDL Number MFCD00048798
SMILES CCCC=CC(=O)OC
Synonym methyl 2-hexenoate,methyl e-2-hexenoate,methyl trans-2-hexenoate,methyl e-hex-2-enoate,methyl 2e-hexenoate,methyl 2e-hex-2-enoate,2-hexenoic acid, methyl ester, e,methyl 2e-2-hexenoate,2e-2-hexenoic acid methyl ester,unii-x2ddu82182
IUPAC Name methyl (E)-hex-2-enoate
InChI Key GFUGBRNILVVWIE-AATRIKPKSA-N
Molecular Formula C7H12O2
12

Ethyl 4-bromocrotonate, 75%, tech.

CAS: 37746-78-4 Molecular Formula: C6H9BrO2 Molecular Weight (g/mol): 193.04 MDL Number: MFCD00000247 InChI Key: FHGRPBSDPBRTLS-ONEGZZNKSA-N Synonym: ethyl 4-bromocrotonate,e-ethyl 4-bromobut-2-enoate,ethyl 4-bromobut-2-enoate,4-bromocrotonic acid ethyl ester,ethyl 2e-4-bromobut-2-enoate,2-butenoic acid, 4-bromo-, ethyl ester, e,2-butenoic acid, 4-bromo-, ethyl ester,ethyl e-4-bromo-2-butenoate,ethyl e-4-bromobut-2-enoate,ethyl trans-4-bromo-2-butenoate PubChem CID: 5373944 IUPAC Name: ethyl (E)-4-bromobut-2-enoate SMILES: CCOC(=O)C=CCBr

PubChem CID 5373944
CAS 37746-78-4
Molecular Weight (g/mol) 193.04
MDL Number MFCD00000247
SMILES CCOC(=O)C=CCBr
Synonym ethyl 4-bromocrotonate,e-ethyl 4-bromobut-2-enoate,ethyl 4-bromobut-2-enoate,4-bromocrotonic acid ethyl ester,ethyl 2e-4-bromobut-2-enoate,2-butenoic acid, 4-bromo-, ethyl ester, e,2-butenoic acid, 4-bromo-, ethyl ester,ethyl e-4-bromo-2-butenoate,ethyl e-4-bromobut-2-enoate,ethyl trans-4-bromo-2-butenoate
IUPAC Name ethyl (E)-4-bromobut-2-enoate
InChI Key FHGRPBSDPBRTLS-ONEGZZNKSA-N
Molecular Formula C6H9BrO2
13
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Diethyl fumarate, 98%

CAS: 623-91-6 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00064455 InChI Key: IEPRKVQEAMIZSS-AATRIKPKSA-N Synonym: diethyl fumarate,fumaric acid, diethyl ester,anti-psoriaticum,diethyl 2e-but-2-enedioate,fumaric acid diethyl ester,diethyl e-but-2-enedioate,2-butenedioic acid e-, diethyl ester,trans-2-butenedioic acid diethyl ester,2-butenedioic acid 2e-, diethyl ester,unii-5wbu5a3e8a PubChem CID: 638144 ChEBI: CHEBI:87388 IUPAC Name: diethyl (E)-but-2-enedioate SMILES: CCOC(=O)\C=C\C(=O)OCC

PubChem CID 638144
CAS 623-91-6
Molecular Weight (g/mol) 172.18
ChEBI CHEBI:87388
MDL Number MFCD00064455
SMILES CCOC(=O)\C=C\C(=O)OCC
Synonym diethyl fumarate,fumaric acid, diethyl ester,anti-psoriaticum,diethyl 2e-but-2-enedioate,fumaric acid diethyl ester,diethyl e-but-2-enedioate,2-butenedioic acid e-, diethyl ester,trans-2-butenedioic acid diethyl ester,2-butenedioic acid 2e-, diethyl ester,unii-5wbu5a3e8a
IUPAC Name diethyl (E)-but-2-enedioate
InChI Key IEPRKVQEAMIZSS-AATRIKPKSA-N
Molecular Formula C8H12O4
14

Methyl crotonate, 96%, trans-isomer

CAS: 623-43-8 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00009287 InChI Key: MCVVUJPXSBQTRZ-ONEGZZNKSA-N Synonym: methyl crotonate,e-methyl but-2-enoate,trans-methyl crotonate,methyl e-crotonate,methyl 2-butenoate,methyl trans-crotonate,2-butenoic acid, methyl ester, 2e,trans-2-butenoic acid methyl ester,methyl trans-2-butenoate,e-crotonic acid methyl ester PubChem CID: 638132 IUPAC Name: methyl (E)-but-2-enoate SMILES: COC(=O)\C=C\C

PubChem CID 638132
CAS 623-43-8
Molecular Weight (g/mol) 100.12
MDL Number MFCD00009287
SMILES COC(=O)\C=C\C
Synonym methyl crotonate,e-methyl but-2-enoate,trans-methyl crotonate,methyl e-crotonate,methyl 2-butenoate,methyl trans-crotonate,2-butenoic acid, methyl ester, 2e,trans-2-butenoic acid methyl ester,methyl trans-2-butenoate,e-crotonic acid methyl ester
IUPAC Name methyl (E)-but-2-enoate
InChI Key MCVVUJPXSBQTRZ-ONEGZZNKSA-N
Molecular Formula C5H8O2
15

Methyl 4,4,4-trifluorocrotonate, 97%

CAS: 85694-31-1 Molecular Formula: C5H5F3O2 Molecular Weight (g/mol): 154.09 MDL Number: MFCD00077567 InChI Key: DMMZYYLXAGRBDO-NSCUHMNNSA-N Synonym: methyl 4,4,4-trifluorocrotonate,methyl 2e-4,4,4-trifluorobut-2-enoate,methyl4,4,4-trifluorocrotonate,methyl e-3-trifluoromethyl propenoate,e-methyl 4,4,4-trifluorobut-2-enoate,methyl 4,4,4-trifluorobut-2-enoate,heddpndiaicichibemultbb`,methyl 4,4,4-trifluorocrotonat,methyl e-4,4,4-trifluorobut-2-enoate,4,4,4-trifluorocrotonic acid methyl ester PubChem CID: 5371282 IUPAC Name: methyl (E)-4,4,4-trifluorobut-2-enoate SMILES: COC(=O)\C=C\C(F)(F)F

PubChem CID 5371282
CAS 85694-31-1
Molecular Weight (g/mol) 154.09
MDL Number MFCD00077567
SMILES COC(=O)\C=C\C(F)(F)F
Synonym methyl 4,4,4-trifluorocrotonate,methyl 2e-4,4,4-trifluorobut-2-enoate,methyl4,4,4-trifluorocrotonate,methyl e-3-trifluoromethyl propenoate,e-methyl 4,4,4-trifluorobut-2-enoate,methyl 4,4,4-trifluorobut-2-enoate,heddpndiaicichibemultbb`,methyl 4,4,4-trifluorocrotonat,methyl e-4,4,4-trifluorobut-2-enoate,4,4,4-trifluorocrotonic acid methyl ester
IUPAC Name methyl (E)-4,4,4-trifluorobut-2-enoate
InChI Key DMMZYYLXAGRBDO-NSCUHMNNSA-N
Molecular Formula C5H5F3O2