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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

Thermo Scientific Chemicals Cefditoren pivoxyl

CAS: 117467-28-4 Formule moléculaire: C25H28N6O7S3 Poids moléculaire (g/mol): 620.71 Numéro MDL: MFCD00933166 Clé InChI: AFZFFLVORLEPPO-UHFFFAOYNA-N Nom IUPAC: {7-[2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyloxy}methyl 2,2-dimethylpropanoate SMILES: CON=C(C(=O)NC1C2SCC(C=CC3=C(C)N=CS3)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C1=CSC(N)=N1

Poids moléculaire (g/mol) 620.71
Numéro MDL MFCD00933166
CAS 117467-28-4
Nom IUPAC {7-[2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyloxy}methyl 2,2-dimethylpropanoate
Clé InChI AFZFFLVORLEPPO-UHFFFAOYNA-N
SMILES CON=C(C(=O)NC1C2SCC(C=CC3=C(C)N=CS3)=C(N2C1=O)C(=O)OCOC(=O)C(C)(C)C)C1=CSC(N)=N1
Formule moléculaire C25H28N6O7S3
2

MilliporeSigma™ Dihydrorhodamine 123, Calbiochem™,

CAS: 109244-58-8 Formule moléculaire: C21H18N2O3 Poids moléculaire (g/mol): 346.39 Numéro MDL: MFCD04221428 Clé InChI: FNEZBBILNYNQGC-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 105032 Nom IUPAC: 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

Poids moléculaire (g/mol) 346.39
Synonyme 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
Numéro MDL MFCD04221428
CAS 109244-58-8
CID PubChem 105032
Nom IUPAC methyl 2-(3,6-diamino-9H-xanthen-9-yl)benzoate
Clé InChI FNEZBBILNYNQGC-UHFFFAOYSA-N
SMILES COC(=O)C1=CC=CC=C1C1C2=CC=C(N)C=C2OC2=CC(N)=CC=C12
Formule moléculaire C21H18N2O3
3

Mono-Methyl Phthalate Analytical Standard, MilliporeSigma™ Supelco™

Mono-Methyl phthalate belongs to the class of phthalates that is broadly employed as plasticizers in various domestic. Commonly used in industrial products, personal care products, pharmaceuticals, medical devices, and paints.

4

Dimethyl Fumarate, Certified Reference Material, MilliporeSigma™ Supelco™

Pharmaceutical secondary standards for application in quality control. Provides pharma laboratories and manufacturers with a convenient, and cost-effective alternative to the preparation of in-house working standards.

5

Methyl trimethylacetate, 99%

CAS: 598-98-1 Formule moléculaire: C6H12O2 Poids moléculaire (g/mol): 116.16 Numéro MDL: MFCD00008843 Clé InChI: CNMFHDIDIMZHKY-UHFFFAOYSA-N Synonyme: methyl pivalate,methyl trimethylacetate,propanoic acid, 2,2-dimethyl-, methyl ester,pivalic acid, methyl ester,unii-bfx9w386ox,bfx9w386ox,pivalic acid methyl ester,methyl pivaloate,methyltrimethylacetate,tert-c4h9cooch3 CID PubChem: 69027 Nom IUPAC: methyl 2,2-dimethylpropanoate SMILES: CC(C)(C)C(=O)OC

Poids moléculaire (g/mol) 116.16
Synonyme methyl pivalate,methyl trimethylacetate,propanoic acid, 2,2-dimethyl-, methyl ester,pivalic acid, methyl ester,unii-bfx9w386ox,bfx9w386ox,pivalic acid methyl ester,methyl pivaloate,methyltrimethylacetate,tert-c4h9cooch3
Numéro MDL MFCD00008843
CAS 598-98-1
CID PubChem 69027
Nom IUPAC methyl 2,2-dimethylpropanoate
Clé InChI CNMFHDIDIMZHKY-UHFFFAOYSA-N
SMILES CC(C)(C)C(=O)OC
Formule moléculaire C6H12O2
6

Methyl methacrylate, 99%, stabilized

CAS: 80-62-6 Formule moléculaire: C5H8O2 Poids moléculaire (g/mol): 100.12 Numéro MDL: MFCD00008587 Clé InChI: VVQNEPGJFQJSBK-UHFFFAOYSA-N Synonyme: methyl methacrylate,methylmethacrylate,methacrylic acid methyl ester,methyl methylacrylate,methyl 2-methylpropenoate,pegalan,methyl-methacrylat,diakon,acryester m,methyl 2-methyl-2-propenoate CID PubChem: 6658 ChEBI: CHEBI:34840 Nom IUPAC: methyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OC

Poids moléculaire (g/mol) 100.12
Synonyme methyl methacrylate,methylmethacrylate,methacrylic acid methyl ester,methyl methylacrylate,methyl 2-methylpropenoate,pegalan,methyl-methacrylat,diakon,acryester m,methyl 2-methyl-2-propenoate
Numéro MDL MFCD00008587
CAS 80-62-6
CID PubChem 6658
ChEBI CHEBI:34840
Nom IUPAC methyl 2-methylprop-2-enoate
Clé InChI VVQNEPGJFQJSBK-UHFFFAOYSA-N
SMILES CC(=C)C(=O)OC
Formule moléculaire C5H8O2
7

Isopropenyl acetate, 99%

CAS: 108-22-5 Formule moléculaire: C5H8O2 Poids moléculaire (g/mol): 100.12 Numéro MDL: MFCD00008709 Clé InChI: HETCEOQFVDFGSY-UHFFFAOYSA-N Synonyme: isopropenyl acetate,2-acetoxypropene,1-methylvinyl acetate,2-acetoxypropylene,methylvinyl acetate,1-propen-2-ol, acetate,propen-2-yl acetate,acetic acid isopropenyl ester,1-acetoxy-1-methylethylene,1-propen-2-yl acetate CID PubChem: 7916 Nom IUPAC: prop-1-en-2-yl acetate SMILES: CC(=C)OC(C)=O

Poids moléculaire (g/mol) 100.12
Synonyme isopropenyl acetate,2-acetoxypropene,1-methylvinyl acetate,2-acetoxypropylene,methylvinyl acetate,1-propen-2-ol, acetate,propen-2-yl acetate,acetic acid isopropenyl ester,1-acetoxy-1-methylethylene,1-propen-2-yl acetate
Numéro MDL MFCD00008709
CAS 108-22-5
CID PubChem 7916
Nom IUPAC prop-1-en-2-yl acetate
Clé InChI HETCEOQFVDFGSY-UHFFFAOYSA-N
SMILES CC(=C)OC(C)=O
Formule moléculaire C5H8O2
8

Dimethyl acetylenedicarboxylate, 98%

CAS: 762-42-5 Formule moléculaire: C6H6O4 Poids moléculaire (g/mol): 142.11 Clé InChI: VHILMKFSCRWWIJ-UHFFFAOYSA-N Synonyme: dimethyl acetylenedicarboxylate,2-butynedioic acid, dimethyl ester,1,4-dimethyl but-2-ynedioate,dimethyl butynedioate,dimethyl 2-butynedioate,acetylenedicarboxylic acid dimethyl ester,dmad,methyl acetylenedicarboxylate,bis methoxycarbonyl acetylene,di carbomethoxy acetylene CID PubChem: 12980 Nom IUPAC: dimethyl but-2-ynedioate SMILES: COC(=O)C#CC(=O)OC

Poids moléculaire (g/mol) 142.11
Synonyme dimethyl acetylenedicarboxylate,2-butynedioic acid, dimethyl ester,1,4-dimethyl but-2-ynedioate,dimethyl butynedioate,dimethyl 2-butynedioate,acetylenedicarboxylic acid dimethyl ester,dmad,methyl acetylenedicarboxylate,bis methoxycarbonyl acetylene,di carbomethoxy acetylene
CAS 762-42-5
CID PubChem 12980
Nom IUPAC dimethyl but-2-ynedioate
Clé InChI VHILMKFSCRWWIJ-UHFFFAOYSA-N
SMILES COC(=O)C#CC(=O)OC
Formule moléculaire C6H6O4
9

Ethyl phenylpropiolate, 98%

CAS: 2216-94-6 Formule moléculaire: C11H10O2 Poids moléculaire (g/mol): 174.2 Numéro MDL: MFCD00009185 Clé InChI: ACJOYTKWHPEIHW-UHFFFAOYSA-N Synonyme: ethyl phenylpropiolate,ethylphenylpropiolate,ethyl 3-phenylpropiolate,ethyl phenylpropriolate,2-propynoic acid, 3-phenyl-, ethyl ester,ethyl 3-phenylpropynoate,ethyl phenylpropynoate,ethyl phenylacetylenecarboxylate,phenylpropiolic acid ethyl ester,ethyl 3-phenyl-2-propynoate CID PubChem: 91516 Nom IUPAC: ethyl 3-phenylprop-2-ynoate SMILES: CCOC(=O)C#CC1=CC=CC=C1

Poids moléculaire (g/mol) 174.2
Synonyme ethyl phenylpropiolate,ethylphenylpropiolate,ethyl 3-phenylpropiolate,ethyl phenylpropriolate,2-propynoic acid, 3-phenyl-, ethyl ester,ethyl 3-phenylpropynoate,ethyl phenylpropynoate,ethyl phenylacetylenecarboxylate,phenylpropiolic acid ethyl ester,ethyl 3-phenyl-2-propynoate
Numéro MDL MFCD00009185
CAS 2216-94-6
CID PubChem 91516
Nom IUPAC ethyl 3-phenylprop-2-ynoate
Clé InChI ACJOYTKWHPEIHW-UHFFFAOYSA-N
SMILES CCOC(=O)C#CC1=CC=CC=C1
Formule moléculaire C11H10O2
10

Ethyl propiolate, 99%

CAS: 623-47-2 Formule moléculaire: C5H6O2 Poids moléculaire (g/mol): 98.10 Numéro MDL: MFCD00009184 Clé InChI: FMVJYQGSRWVMQV-UHFFFAOYSA-N Synonyme: ethyl propiolate,ethyl acetylenecarboxylate,2-propynoic acid, ethyl ester,propiolic acid ethyl ester,ethyl propynoate,ethoxycarbonyl acetylene,ethyl 2-propynoate,propiolic acid, ethyl ester,unii-w235g5u52s,propynoic acid ethyl ester CID PubChem: 12182 ChEBI: CHEBI:51740 Nom IUPAC: ethyl prop-2-ynoate SMILES: CCOC(=O)C#C

Poids moléculaire (g/mol) 98.10
Synonyme ethyl propiolate,ethyl acetylenecarboxylate,2-propynoic acid, ethyl ester,propiolic acid ethyl ester,ethyl propynoate,ethoxycarbonyl acetylene,ethyl 2-propynoate,propiolic acid, ethyl ester,unii-w235g5u52s,propynoic acid ethyl ester
Numéro MDL MFCD00009184
CAS 623-47-2
CID PubChem 12182
ChEBI CHEBI:51740
Nom IUPAC ethyl prop-2-ynoate
Clé InChI FMVJYQGSRWVMQV-UHFFFAOYSA-N
SMILES CCOC(=O)C#C
Formule moléculaire C5H6O2
11

Methyl bromoacetate, 99%

CAS: 96-32-2 Formule moléculaire: C3H5BrO2 Poids moléculaire (g/mol): 152.98 Numéro MDL: MFCD00000189 Clé InChI: YDCHPLOFQATIDS-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 60984 Nom IUPAC: methyl 2-bromoacetate SMILES: COC(=O)CBr

Poids moléculaire (g/mol) 152.98
Synonyme 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
Numéro MDL MFCD00000189
CAS 96-32-2
CID PubChem 60984
Nom IUPAC methyl 2-bromoacetate
Clé InChI YDCHPLOFQATIDS-UHFFFAOYSA-N
SMILES COC(=O)CBr
Formule moléculaire C3H5BrO2
12

Methyl cyanoacetate, 97%

CAS: 105-34-0 Formule moléculaire: C4H5NO2 Poids moléculaire (g/mol): 99.09 Numéro MDL: MFCD00001939 Clé InChI: ANGDWNBGPBMQHW-UHFFFAOYSA-N Synonyme: methyl cyanoacetate,cyanoacetic acid methyl ester,methyl cyanoethanoate,acetic acid, cyano-, methyl ester,usaf kf-22,methylester kyseliny kyanoctove,methylcyanoacetate,malonic methyl ester nitrile,acetic acid, 2-cyano-, methyl ester,methyl cyano acetate CID PubChem: 7747 ChEBI: CHEBI:51928 Nom IUPAC: methyl 2-cyanoacetate SMILES: COC(=O)CC#N

Poids moléculaire (g/mol) 99.09
Synonyme methyl cyanoacetate,cyanoacetic acid methyl ester,methyl cyanoethanoate,acetic acid, cyano-, methyl ester,usaf kf-22,methylester kyseliny kyanoctove,methylcyanoacetate,malonic methyl ester nitrile,acetic acid, 2-cyano-, methyl ester,methyl cyano acetate
Numéro MDL MFCD00001939
CAS 105-34-0
CID PubChem 7747
ChEBI CHEBI:51928
Nom IUPAC methyl 2-cyanoacetate
Clé InChI ANGDWNBGPBMQHW-UHFFFAOYSA-N
SMILES COC(=O)CC#N
Formule moléculaire C4H5NO2
13

Methyl 3-mercaptopropionate, 98%

CAS: 2935-90-2 Formule moléculaire: C4H8O2S Poids moléculaire (g/mol): 120.17 Numéro MDL: MFCD00004895 Clé InChI: LDTLDBDUBGAEDT-UHFFFAOYSA-N CID PubChem: 18050 Nom IUPAC: methyl 3-sulfanylpropanoate SMILES: COC(=O)CCS

Poids moléculaire (g/mol) 120.17
Numéro MDL MFCD00004895
CAS 2935-90-2
CID PubChem 18050
Nom IUPAC methyl 3-sulfanylpropanoate
Clé InChI LDTLDBDUBGAEDT-UHFFFAOYSA-N
SMILES COC(=O)CCS
Formule moléculaire C4H8O2S
14

Methyl 4-bromocrotonate, 85%, tech.

CAS: 1117-71-1 Formule moléculaire: C5H7BrO2 Poids moléculaire (g/mol): 179.01 Numéro MDL: MFCD00000246,MFCD09998308 Clé InChI: RWIKCBHOVNDESJ-NSCUHMNNSA-N Synonyme: 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 CID PubChem: 5369175 SMILES: COC(=O)\C=C\CBr

Poids moléculaire (g/mol) 179.01
Synonyme 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
Numéro MDL MFCD00000246,MFCD09998308
CAS 1117-71-1
CID PubChem 5369175
Clé InChI RWIKCBHOVNDESJ-NSCUHMNNSA-N
SMILES COC(=O)\C=C\CBr
Formule moléculaire C5H7BrO2
15

Ethyl methacrylate, 99%, stabilized

CAS: 97-63-2 Formule moléculaire: C6H10O2 Poids moléculaire (g/mol): 114.14 Numéro MDL: MFCD00009161 Clé InChI: SUPCQIBBMFXVTL-UHFFFAOYSA-N Synonyme: ethyl methacrylate,ethyl 2-methylacrylate,2-propenoic acid, 2-methyl-, ethyl ester,methacrylic acid ethyl ester,ethyl 2-methyl-2-propenoate,ethyl 2-methacrylate,rhoplex ac-33,methacrylic acid, ethyl ester,rcra waste number u118,2-methylacrylic acid, ethyl ester CID PubChem: 7343 Nom IUPAC: ethyl 2-methylprop-2-enoate SMILES: CCOC(=O)C(=C)C

Poids moléculaire (g/mol) 114.14
Synonyme ethyl methacrylate,ethyl 2-methylacrylate,2-propenoic acid, 2-methyl-, ethyl ester,methacrylic acid ethyl ester,ethyl 2-methyl-2-propenoate,ethyl 2-methacrylate,rhoplex ac-33,methacrylic acid, ethyl ester,rcra waste number u118,2-methylacrylic acid, ethyl ester
Numéro MDL MFCD00009161
CAS 97-63-2
CID PubChem 7343
Nom IUPAC ethyl 2-methylprop-2-enoate
Clé InChI SUPCQIBBMFXVTL-UHFFFAOYSA-N
SMILES CCOC(=O)C(=C)C
Formule moléculaire C6H10O2