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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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Keyword Search:
1 – 15 of 524 results
1

Ethyl 2-cyanoacrylate

CAS: 7085-85-0 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.13 MDL Number: MFCD00045615 InChI Key: FGBJXOREULPLGL-UHFFFAOYSA-N Synonym: ethyl 2-cyanoacrylate,ethyl cyanoacrylate,2-propenoic acid, 2-cyano-, ethyl ester,unii-2g95foh7sf,ccris 1693,acrylic acid, 2-cyano-, ethyl ester,2g95foh7sf,2-cyanoacrylic acid ethyl ester,2-propenoic acid,2-cyano-, ethyl ester,dsstox_cid_5279 PubChem CID: 81530 IUPAC Name: ethyl 2-cyanoprop-2-enoate SMILES: CCOC(=O)C(=C)C#N

PubChem CID 81530
CAS 7085-85-0
Molecular Weight (g/mol) 125.13
MDL Number MFCD00045615
SMILES CCOC(=O)C(=C)C#N
Synonym ethyl 2-cyanoacrylate,ethyl cyanoacrylate,2-propenoic acid, 2-cyano-, ethyl ester,unii-2g95foh7sf,ccris 1693,acrylic acid, 2-cyano-, ethyl ester,2g95foh7sf,2-cyanoacrylic acid ethyl ester,2-propenoic acid,2-cyano-, ethyl ester,dsstox_cid_5279
IUPAC Name ethyl 2-cyanoprop-2-enoate
InChI Key FGBJXOREULPLGL-UHFFFAOYSA-N
Molecular Formula C6H7NO2
2

MilliporeSigma™ Dihydrorhodamine 123, Calbiochem™,

CAS: 109244-58-8 Molecular Formula: C21H18N2O3 Molecular Weight (g/mol): 346.39 MDL Number: MFCD04221428 InChI Key: FNEZBBILNYNQGC-UHFFFAOYSA-N Synonym: dihydrorhodamine 123,dihydrorhodamine,methyl 2-3,6-diamino-9h-xanthen-9-yl benzoate,benzoic acid, 2-3,6-diamino-9h-xanthen-9-yl-, methyl ester,dihydrorhodamine-123 PubChem CID: 105032 IUPAC Name: methyl 2-(3,6-diamino-9H-xanthen-9-yl)benzoate SMILES: COC(=O)C1=CC=CC=C1C1C2=CC=C(N)C=C2OC2=CC(N)=CC=C12

PubChem CID 105032
CAS 109244-58-8
Molecular Weight (g/mol) 346.39
MDL Number MFCD04221428
SMILES COC(=O)C1=CC=CC=C1C1C2=CC=C(N)C=C2OC2=CC(N)=CC=C12
Synonym dihydrorhodamine 123,dihydrorhodamine,methyl 2-3,6-diamino-9h-xanthen-9-yl benzoate,benzoic acid, 2-3,6-diamino-9h-xanthen-9-yl-, methyl ester,dihydrorhodamine-123
IUPAC Name methyl 2-(3,6-diamino-9H-xanthen-9-yl)benzoate
InChI Key FNEZBBILNYNQGC-UHFFFAOYSA-N
Molecular Formula C21H18N2O3
3

Mono-methyl phthalate, 98%

CAS: 4376-18-5 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002466 InChI Key: FNJSWIPFHMKRAT-UHFFFAOYSA-N Synonym: 2-methoxycarbonyl benzoic acid,methyl hydrogen phthalate,monomethyl phthalate,mono-methyl phthalate,phthalic acid monomethyl ester,o-methoxycarbonyl benzoic acid,monomethyl 1,2-benzenedicarboxylate,phthalic acid, monomethyl ester,monomethylphthalate,unii-2stt6d18jr PubChem CID: 20392 IUPAC Name: 2-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=CC=C1C(O)=O

PubChem CID 20392
CAS 4376-18-5
Molecular Weight (g/mol) 180.16
MDL Number MFCD00002466
SMILES COC(=O)C1=CC=CC=C1C(O)=O
Synonym 2-methoxycarbonyl benzoic acid,methyl hydrogen phthalate,monomethyl phthalate,mono-methyl phthalate,phthalic acid monomethyl ester,o-methoxycarbonyl benzoic acid,monomethyl 1,2-benzenedicarboxylate,phthalic acid, monomethyl ester,monomethylphthalate,unii-2stt6d18jr
IUPAC Name 2-methoxycarbonylbenzoic acid
InChI Key FNJSWIPFHMKRAT-UHFFFAOYSA-N
Molecular Formula C9H8O4
4

Methyl methoxyacetate, 99%

CAS: 6290-49-9 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.11 MDL Number: MFCD00008451 InChI Key: QRMHDGWGLNLHMN-UHFFFAOYSA-N Synonym: methyl methoxyacetate,acetic acid, methoxy-, methyl ester,methoxyacetic acid methyl ester,methyl-2-methoxyacetate,methoxyacetic acid, methyl ester,acetic acid, 2-methoxy-, methyl ester,unii-n960nq69lf,methoxy acetic acid methyl ester,methyl metoxyacetate,methyl methoxylacetate PubChem CID: 80507 ChEBI: CHEBI:34841 IUPAC Name: methyl 2-methoxyacetate SMILES: COCC(=O)OC

PubChem CID 80507
CAS 6290-49-9
Molecular Weight (g/mol) 104.11
ChEBI CHEBI:34841
MDL Number MFCD00008451
SMILES COCC(=O)OC
Synonym methyl methoxyacetate,acetic acid, methoxy-, methyl ester,methoxyacetic acid methyl ester,methyl-2-methoxyacetate,methoxyacetic acid, methyl ester,acetic acid, 2-methoxy-, methyl ester,unii-n960nq69lf,methoxy acetic acid methyl ester,methyl metoxyacetate,methyl methoxylacetate
IUPAC Name methyl 2-methoxyacetate
InChI Key QRMHDGWGLNLHMN-UHFFFAOYSA-N
Molecular Formula C4H8O3
5

Ethyl 2-(bromomethyl)acrylate, 97%

CAS: 17435-72-2 Molecular Formula: C6H9BrO2 Molecular Weight (g/mol): 193.04 MDL Number: MFCD00031518 InChI Key: MTCMFVTVXAOHNQ-UHFFFAOYSA-N Synonym: ethyl 2-bromomethyl acrylate,ethyl 2-bromomethyl prop-2-enoate,2-bromomethyl acrylic acid ethyl ester,ethyl alpha-bromomethyl acrylate,2-propenoic acid, 2-bromomethyl-, ethyl ester,2-bromomethyl-acrylic acid ethyl ester,ethyl-2-bromomethylacrylate,ethyl 2-bromomethylacrylate,acmc-1bo78,ksc181c2b PubChem CID: 310620 IUPAC Name: ethyl 2-(bromomethyl)prop-2-enoate SMILES: CCOC(=O)C(=C)CBr

PubChem CID 310620
CAS 17435-72-2
Molecular Weight (g/mol) 193.04
MDL Number MFCD00031518
SMILES CCOC(=O)C(=C)CBr
Synonym ethyl 2-bromomethyl acrylate,ethyl 2-bromomethyl prop-2-enoate,2-bromomethyl acrylic acid ethyl ester,ethyl alpha-bromomethyl acrylate,2-propenoic acid, 2-bromomethyl-, ethyl ester,2-bromomethyl-acrylic acid ethyl ester,ethyl-2-bromomethylacrylate,ethyl 2-bromomethylacrylate,acmc-1bo78,ksc181c2b
IUPAC Name ethyl 2-(bromomethyl)prop-2-enoate
InChI Key MTCMFVTVXAOHNQ-UHFFFAOYSA-N
Molecular Formula C6H9BrO2
6

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
7

Methyl thioglycolate, 98%

CAS: 2365-48-2 Molecular Formula: C3H6O2S Molecular Weight (g/mol): 106.14 MDL Number: MFCD00004873 InChI Key: MKIJJIMOAABWGF-UHFFFAOYSA-N Synonym: methyl thioglycolate,methyl mercaptoacetate,methyl 2-mercaptoacetate,methylthioglycolate,thioglycolic acid methyl ester,acetic acid, mercapto-, methyl ester,methanethiol, methoxy,usaf ek-7119,thioglykolsaeure-methylester,unii-o1608la9el PubChem CID: 16907 IUPAC Name: methyl 2-sulfanylacetate SMILES: COC(=O)CS

PubChem CID 16907
CAS 2365-48-2
Molecular Weight (g/mol) 106.14
MDL Number MFCD00004873
SMILES COC(=O)CS
Synonym methyl thioglycolate,methyl mercaptoacetate,methyl 2-mercaptoacetate,methylthioglycolate,thioglycolic acid methyl ester,acetic acid, mercapto-, methyl ester,methanethiol, methoxy,usaf ek-7119,thioglykolsaeure-methylester,unii-o1608la9el
IUPAC Name methyl 2-sulfanylacetate
InChI Key MKIJJIMOAABWGF-UHFFFAOYSA-N
Molecular Formula C3H6O2S
8

Methyl bromoacetate, 99%

CAS: 96-32-2 Molecular Formula: C3H5BrO2 Molecular Weight (g/mol): 152.98 MDL Number: MFCD00000189 InChI Key: YDCHPLOFQATIDS-UHFFFAOYSA-N Synonym: methyl bromoacetate,bromoacetic acid methyl ester,methyl monobromoacetate,acetic acid, bromo-, methyl ester,methyl alpha-bromoacetate,methylbromoacetate,acetic acid, 2-bromo-, methyl ester,methylester kyseliny bromoctove,methyl .alpha.-bromoacetate,methylester kyseliny bromoctove czech PubChem CID: 60984 IUPAC Name: methyl 2-bromoacetate SMILES: COC(=O)CBr

PubChem CID 60984
CAS 96-32-2
Molecular Weight (g/mol) 152.98
MDL Number MFCD00000189
SMILES COC(=O)CBr
Synonym methyl bromoacetate,bromoacetic acid methyl ester,methyl monobromoacetate,acetic acid, bromo-, methyl ester,methyl alpha-bromoacetate,methylbromoacetate,acetic acid, 2-bromo-, methyl ester,methylester kyseliny bromoctove,methyl .alpha.-bromoacetate,methylester kyseliny bromoctove czech
IUPAC Name methyl 2-bromoacetate
InChI Key YDCHPLOFQATIDS-UHFFFAOYSA-N
Molecular Formula C3H5BrO2
9

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

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
11

Methyl mercaptoacetate, 95%

CAS: 2365-48-2 Molecular Formula: C3H6O2S Molecular Weight (g/mol): 106.14 MDL Number: MFCD00004873 InChI Key: MKIJJIMOAABWGF-UHFFFAOYSA-N Synonym: methyl thioglycolate,methyl mercaptoacetate,methyl 2-mercaptoacetate,methylthioglycolate,thioglycolic acid methyl ester,acetic acid, mercapto-, methyl ester,methanethiol, methoxy,usaf ek-7119,thioglykolsaeure-methylester,unii-o1608la9el PubChem CID: 16907 IUPAC Name: methyl 2-sulfanylacetate SMILES: COC(=O)CS

PubChem CID 16907
CAS 2365-48-2
Molecular Weight (g/mol) 106.14
MDL Number MFCD00004873
SMILES COC(=O)CS
Synonym methyl thioglycolate,methyl mercaptoacetate,methyl 2-mercaptoacetate,methylthioglycolate,thioglycolic acid methyl ester,acetic acid, mercapto-, methyl ester,methanethiol, methoxy,usaf ek-7119,thioglykolsaeure-methylester,unii-o1608la9el
IUPAC Name methyl 2-sulfanylacetate
InChI Key MKIJJIMOAABWGF-UHFFFAOYSA-N
Molecular Formula C3H6O2S
12

2(5H)-Furanone, 96%

CAS: 497-23-4 Molecular Formula: C4H4O2 Molecular Weight (g/mol): 84.07 MDL Number: MFCD00005376 InChI Key: VIHAEDVKXSOUAT-UHFFFAOYSA-N Synonym: 2 5h-furanone,furan-2 5h-one,butenolide,2-butenolide,gamma-crotonolactone,2-buten-4-olide,isocrotonolactone,2-oxo-2,5-dihydrofuran,crotonolactone,2-5h-furanone PubChem CID: 10341 ChEBI: CHEBI:38118 IUPAC Name: 2H-furan-5-one SMILES: O=C1OCC=C1

PubChem CID 10341
CAS 497-23-4
Molecular Weight (g/mol) 84.07
ChEBI CHEBI:38118
MDL Number MFCD00005376
SMILES O=C1OCC=C1
Synonym 2 5h-furanone,furan-2 5h-one,butenolide,2-butenolide,gamma-crotonolactone,2-buten-4-olide,isocrotonolactone,2-oxo-2,5-dihydrofuran,crotonolactone,2-5h-furanone
IUPAC Name 2H-furan-5-one
InChI Key VIHAEDVKXSOUAT-UHFFFAOYSA-N
Molecular Formula C4H4O2
13

Diethyl ethylidenemalonate, 99%

CAS: 1462-12-0 Molecular Formula: C9H14O4 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00009145 InChI Key: LBBAWVLUOZVYCC-UHFFFAOYSA-N Synonym: diethyl ethylidenemalonate,diethyl 2-ethylidenemalonate,propanedioic acid, ethylidene-, diethyl ester,1,3-diethyl 2-ethylidenepropanedioate,2-ethylidenemalonic acid diethyl ester,diethylethylidenemalonate,acmc-1c0mi,diethyl ethylidene malonate,diethyl ethylidenepropanedioate,diethyl 2-ethylidenemalonate # PubChem CID: 73831 SMILES: CCOC(=O)C(=CC)C(=O)OCC

PubChem CID 73831
CAS 1462-12-0
Molecular Weight (g/mol) 186.21
MDL Number MFCD00009145
SMILES CCOC(=O)C(=CC)C(=O)OCC
Synonym diethyl ethylidenemalonate,diethyl 2-ethylidenemalonate,propanedioic acid, ethylidene-, diethyl ester,1,3-diethyl 2-ethylidenepropanedioate,2-ethylidenemalonic acid diethyl ester,diethylethylidenemalonate,acmc-1c0mi,diethyl ethylidene malonate,diethyl ethylidenepropanedioate,diethyl 2-ethylidenemalonate #
InChI Key LBBAWVLUOZVYCC-UHFFFAOYSA-N
Molecular Formula C9H14O4
14

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
15

alpha-Angelicalactone, 98%

CAS: 591-12-8 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.10 MDL Number: MFCD00005375 InChI Key: QOTQFLOTGBBMEX-UHFFFAOYSA-N Synonym: alpha-angelica lactone,alpha-angelicalactone,5-methyl-2 3h-furanone,5-methylfuran-2 3h-one,2 3h-furanone, 5-methyl,4-hydroxypent-3-enoic acid lactone,delta 2-angelica lactone,4-hydroxy-3-pentenoic acid gamma-lactone,gamma-methyl-beta,gamma-crotonolactone,.alpha.-angelica lactone PubChem CID: 11559 ChEBI: CHEBI:36433 IUPAC Name: 5-methyl-3H-furan-2-one SMILES: CC1=CCC(=O)O1

PubChem CID 11559
CAS 591-12-8
Molecular Weight (g/mol) 98.10
ChEBI CHEBI:36433
MDL Number MFCD00005375
SMILES CC1=CCC(=O)O1
Synonym alpha-angelica lactone,alpha-angelicalactone,5-methyl-2 3h-furanone,5-methylfuran-2 3h-one,2 3h-furanone, 5-methyl,4-hydroxypent-3-enoic acid lactone,delta 2-angelica lactone,4-hydroxy-3-pentenoic acid gamma-lactone,gamma-methyl-beta,gamma-crotonolactone,.alpha.-angelica lactone
IUPAC Name 5-methyl-3H-furan-2-one
InChI Key QOTQFLOTGBBMEX-UHFFFAOYSA-N
Molecular Formula C5H6O2