Organic acids and derivatives
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Methanesulfonic Acid 99.0+%, TCI America™
CAS: 75-75-2 Molecular Formula: CH4O3S Molecular Weight (g/mol): 96.1 MDL Number: MFCD00007518 InChI Key: AFVFQIVMOAPDHO-UHFFFAOYSA-N Synonym: methylsulfonic acid,methanesulphonic acid,methanesulfonicacid,kyselina methansulfonova,methansulfonsaeure,ccris 2783,kyselina methansulfonova czech,ch3so3h,methane sulfonic acid,sulfomethane PubChem CID: 6395 ChEBI: CHEBI:27376 IUPAC Name: methanesulfonic acid SMILES: CS(=O)(=O)O
| PubChem CID | 6395 |
|---|---|
| CAS | 75-75-2 |
| Molecular Weight (g/mol) | 96.1 |
| ChEBI | CHEBI:27376 |
| MDL Number | MFCD00007518 |
| SMILES | CS(=O)(=O)O |
| Synonym | methylsulfonic acid,methanesulphonic acid,methanesulfonicacid,kyselina methansulfonova,methansulfonsaeure,ccris 2783,kyselina methansulfonova czech,ch3so3h,methane sulfonic acid,sulfomethane |
| IUPAC Name | methanesulfonic acid |
| InChI Key | AFVFQIVMOAPDHO-UHFFFAOYSA-N |
| Molecular Formula | CH4O3S |
Synephrine Tartrate 98.0+%, TCI America™
CAS: 16589-24-5 Molecular Formula: C22H32N2O10 Molecular Weight (g/mol): 484.502 MDL Number: MFCD00151120 InChI Key: KZZBAIXGUQOHKI-UHFFFAOYSA-N Synonym: 4-[1-Hydroxy-2-(methylamino)ethyl]phenol Tartrate, 1-(4-Hydroxyphenyl)-2-(methylamino)ethanol Tartrate, 4-Hydroxy-alpha-(methylaminomethyl)benzyl Alcohol Tartrate PubChem CID: 44135848 IUPAC Name: 2,3-dihydroxybutanedioic acid;4-[1-hydroxy-2-(methylamino)ethyl]phenol SMILES: CNCC(C1=CC=C(C=C1)O)O.CNCC(C1=CC=C(C=C1)O)O.C(C(C(=O)O)O)(C(=O)O)O
| PubChem CID | 44135848 |
|---|---|
| CAS | 16589-24-5 |
| Molecular Weight (g/mol) | 484.502 |
| MDL Number | MFCD00151120 |
| SMILES | CNCC(C1=CC=C(C=C1)O)O.CNCC(C1=CC=C(C=C1)O)O.C(C(C(=O)O)O)(C(=O)O)O |
| Synonym | 4-[1-Hydroxy-2-(methylamino)ethyl]phenol Tartrate, 1-(4-Hydroxyphenyl)-2-(methylamino)ethanol Tartrate, 4-Hydroxy-alpha-(methylaminomethyl)benzyl Alcohol Tartrate |
| IUPAC Name | 2,3-dihydroxybutanedioic acid;4-[1-hydroxy-2-(methylamino)ethyl]phenol |
| InChI Key | KZZBAIXGUQOHKI-UHFFFAOYSA-N |
| Molecular Formula | C22H32N2O10 |
Bis(2-ethylhexyl) Fumarate 98.0+%, TCI America™
CAS: 141-02-6 Molecular Formula: C20H36O4 Molecular Weight (g/mol): 340.504 MDL Number: MFCD00065144 InChI Key: ROPXFXOUUANXRR-BUHFOSPRSA-N Synonym: Fumaric Acid Di(2-ethylhexyl) Ester, Di(2-ethylhexyl) Fumarate, Dioctyl Fumarate, Fumaric Acid Dioctyl Ester PubChem CID: 5370325 IUPAC Name: bis(2-ethylhexyl) (E)-but-2-enedioate SMILES: CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC
| PubChem CID | 5370325 |
|---|---|
| CAS | 141-02-6 |
| Molecular Weight (g/mol) | 340.504 |
| MDL Number | MFCD00065144 |
| SMILES | CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC |
| Synonym | Fumaric Acid Di(2-ethylhexyl) Ester, Di(2-ethylhexyl) Fumarate, Dioctyl Fumarate, Fumaric Acid Dioctyl Ester |
| IUPAC Name | bis(2-ethylhexyl) (E)-but-2-enedioate |
| InChI Key | ROPXFXOUUANXRR-BUHFOSPRSA-N |
| Molecular Formula | C20H36O4 |
Tetraethyl 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetate 97.0+%, TCI America™
CAS: 126320-57-8 Molecular Formula: C26H48N4O8 Molecular Weight (g/mol): 544.69 MDL Number: MFCD09263316 InChI Key: HGPDBLIYOCNCEH-UHFFFAOYSA-N Synonym: 1,4,8,11-tetrakis ethoxycarbonylmethyl-1,4,8,11-tetraazacyclotetradecane,tetaet,tetraethyl 1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetate,tetraethyl 2,2',2,2'-1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetrayl tetraacetate,acmc-1c3a0,cyclam-n,n',n',n-tetraacetic acid tetraethyl ester,1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetic acid tetraethyl ester,1,4,8,11-tetrakis ethoxycarbonyl methyl-1,4,8,11-tetraazacyclotetradecane,1,4,8,11-tetraazacyclotetradecane-n,n',n',n'-tetraacetic acid, tetraethyl ester, min,ethyl 2-4,8,11-tris 2-ethoxy-2-oxoethyl-1,4,8,11-tetraazacyclotetradecan-1-yl acetate PubChem CID: 14434738 IUPAC Name: ethyl 2-[4,8,11-tris(2-ethoxy-2-oxoethyl)-1,4,8,11-tetraazacyclotetradecan-1-yl]acetate SMILES: CCOC(=O)CN1CCCN(CC(=O)OCC)CCN(CC(=O)OCC)CCCN(CC(=O)OCC)CC1
| PubChem CID | 14434738 |
|---|---|
| CAS | 126320-57-8 |
| Molecular Weight (g/mol) | 544.69 |
| MDL Number | MFCD09263316 |
| SMILES | CCOC(=O)CN1CCCN(CC(=O)OCC)CCN(CC(=O)OCC)CCCN(CC(=O)OCC)CC1 |
| Synonym | 1,4,8,11-tetrakis ethoxycarbonylmethyl-1,4,8,11-tetraazacyclotetradecane,tetaet,tetraethyl 1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetate,tetraethyl 2,2',2,2'-1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetrayl tetraacetate,acmc-1c3a0,cyclam-n,n',n',n-tetraacetic acid tetraethyl ester,1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetic acid tetraethyl ester,1,4,8,11-tetrakis ethoxycarbonyl methyl-1,4,8,11-tetraazacyclotetradecane,1,4,8,11-tetraazacyclotetradecane-n,n',n',n'-tetraacetic acid, tetraethyl ester, min,ethyl 2-4,8,11-tris 2-ethoxy-2-oxoethyl-1,4,8,11-tetraazacyclotetradecan-1-yl acetate |
| IUPAC Name | ethyl 2-[4,8,11-tris(2-ethoxy-2-oxoethyl)-1,4,8,11-tetraazacyclotetradecan-1-yl]acetate |
| InChI Key | HGPDBLIYOCNCEH-UHFFFAOYSA-N |
| Molecular Formula | C26H48N4O8 |
n-Octyl Thioglycolate 95.0+%, TCI America™
CAS: 7664-80-4 Molecular Formula: C10H20O2S Molecular Weight (g/mol): 204.328 MDL Number: MFCD00053518 InChI Key: MADOXCFISYCULS-UHFFFAOYSA-N Synonym: Mercaptoacetic Acid n-Octyl Ester, n-Octyl Mercaptoacetate, Thioglycolic Acid n-Octyl Ester PubChem CID: 76023 IUPAC Name: octyl 2-sulfanylacetate SMILES: CCCCCCCCOC(=O)CS
| PubChem CID | 76023 |
|---|---|
| CAS | 7664-80-4 |
| Molecular Weight (g/mol) | 204.328 |
| MDL Number | MFCD00053518 |
| SMILES | CCCCCCCCOC(=O)CS |
| Synonym | Mercaptoacetic Acid n-Octyl Ester, n-Octyl Mercaptoacetate, Thioglycolic Acid n-Octyl Ester |
| IUPAC Name | octyl 2-sulfanylacetate |
| InChI Key | MADOXCFISYCULS-UHFFFAOYSA-N |
| Molecular Formula | C10H20O2S |
Ethyl Bromofluoroacetate 98.0+%, TCI America™
CAS: 401-55-8 Molecular Formula: C4H6BrFO2 Molecular Weight (g/mol): 184.992 MDL Number: MFCD00042095 InChI Key: ULNDTPIRBQGESN-UHFFFAOYSA-N Synonym: ethyl bromofluoroacetate,bromofluoroacetic acid ethyl ester,ethyl-2-bromofluoroacetate,ethylbromofluoroacetate,acetic acid, bromofluoro-, ethyl ester,bromofluoroacetate,ethyl fluorobromoacetate,acmc-209jb9,ksc236i3t PubChem CID: 2733407 IUPAC Name: ethyl 2-bromo-2-fluoroacetate SMILES: CCOC(=O)C(F)Br
| PubChem CID | 2733407 |
|---|---|
| CAS | 401-55-8 |
| Molecular Weight (g/mol) | 184.992 |
| MDL Number | MFCD00042095 |
| SMILES | CCOC(=O)C(F)Br |
| Synonym | ethyl bromofluoroacetate,bromofluoroacetic acid ethyl ester,ethyl-2-bromofluoroacetate,ethylbromofluoroacetate,acetic acid, bromofluoro-, ethyl ester,bromofluoroacetate,ethyl fluorobromoacetate,acmc-209jb9,ksc236i3t |
| IUPAC Name | ethyl 2-bromo-2-fluoroacetate |
| InChI Key | ULNDTPIRBQGESN-UHFFFAOYSA-N |
| Molecular Formula | C4H6BrFO2 |
Benzoyl-beta-alanine 98.0+%, TCI America™
CAS: 3440-28-6 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 MDL Number: MFCD00037293 InChI Key: CWXYHOHYCJXYFQ-UHFFFAOYSA-N Synonym: Betamipron PubChem CID: 71651 IUPAC Name: 3-benzamidopropanoic acid SMILES: C1=CC=C(C=C1)C(=O)NCCC(=O)O
| PubChem CID | 71651 |
|---|---|
| CAS | 3440-28-6 |
| Molecular Weight (g/mol) | 193.202 |
| MDL Number | MFCD00037293 |
| SMILES | C1=CC=C(C=C1)C(=O)NCCC(=O)O |
| Synonym | Betamipron |
| IUPAC Name | 3-benzamidopropanoic acid |
| InChI Key | CWXYHOHYCJXYFQ-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO3 |
Isonicotinic Acid Hydrazide 98.0+%, TCI America™
CAS: 54-85-3 Molecular Formula: C6H7N3O Molecular Weight (g/mol): 137.142 MDL Number: MFCD00006426 InChI Key: QRXWMOHMRWLFEY-UHFFFAOYSA-N Synonym: isoniazid,isonicotinic acid hydrazide,isonicotinohydrazide,rimifon,isoniazide,nydrazid,isonicotinic hydrazide,laniazid,isonicotinylhydrazine,andrazide PubChem CID: 3767 ChEBI: CHEBI:6030 IUPAC Name: pyridine-4-carbohydrazide SMILES: C1=CN=CC=C1C(=O)NN
| PubChem CID | 3767 |
|---|---|
| CAS | 54-85-3 |
| Molecular Weight (g/mol) | 137.142 |
| ChEBI | CHEBI:6030 |
| MDL Number | MFCD00006426 |
| SMILES | C1=CN=CC=C1C(=O)NN |
| Synonym | isoniazid,isonicotinic acid hydrazide,isonicotinohydrazide,rimifon,isoniazide,nydrazid,isonicotinic hydrazide,laniazid,isonicotinylhydrazine,andrazide |
| IUPAC Name | pyridine-4-carbohydrazide |
| InChI Key | QRXWMOHMRWLFEY-UHFFFAOYSA-N |
| Molecular Formula | C6H7N3O |
Methyl Sorbate 98.0+%, TCI America™
CAS: 1515-80-6 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.16 MDL Number: MFCD00038319,MFCD00038319 InChI Key: KWKVAGQCDSHWFK-DNVGVPOPSA-N Synonym: Sorbic Acid Methyl Ester PubChem CID: 12221265 IUPAC Name: methyl (2E,4Z)-hexa-2,4-dienoate SMILES: COC(=O)\C=C\C=C/C
| PubChem CID | 12221265 |
|---|---|
| CAS | 1515-80-6 |
| Molecular Weight (g/mol) | 126.16 |
| MDL Number | MFCD00038319,MFCD00038319 |
| SMILES | COC(=O)\C=C\C=C/C |
| Synonym | Sorbic Acid Methyl Ester |
| IUPAC Name | methyl (2E,4Z)-hexa-2,4-dienoate |
| InChI Key | KWKVAGQCDSHWFK-DNVGVPOPSA-N |
| Molecular Formula | C7H10O2 |
DL-3-Hydroxybutyric Acid (contains Polymolecular esterification product) 80.0+%, TCI America™
CAS: 300-85-6 Molecular Formula: C4H8O3 Molecular Weight (g/mol): 104.105 MDL Number: MFCD00004546 InChI Key: WHBMMWSBFZVSSR-UHFFFAOYSA-N Synonym: 3-hydroxybutyric acid,butanoic acid, 3-hydroxy,beta-hydroxybutyric acid,dl-beta-hydroxybutyric acid,beta-hydroxybuttersaeure,3 hba,3-hydroxybuttersaeure,beta-hydroxy-n-butyric acid,3 hydroxybutyrate,butyric acid, 3-hydroxy PubChem CID: 441 ChEBI: CHEBI:20067 IUPAC Name: 3-hydroxybutanoic acid SMILES: CC(CC(=O)O)O
| PubChem CID | 441 |
|---|---|
| CAS | 300-85-6 |
| Molecular Weight (g/mol) | 104.105 |
| ChEBI | CHEBI:20067 |
| MDL Number | MFCD00004546 |
| SMILES | CC(CC(=O)O)O |
| Synonym | 3-hydroxybutyric acid,butanoic acid, 3-hydroxy,beta-hydroxybutyric acid,dl-beta-hydroxybutyric acid,beta-hydroxybuttersaeure,3 hba,3-hydroxybuttersaeure,beta-hydroxy-n-butyric acid,3 hydroxybutyrate,butyric acid, 3-hydroxy |
| IUPAC Name | 3-hydroxybutanoic acid |
| InChI Key | WHBMMWSBFZVSSR-UHFFFAOYSA-N |
| Molecular Formula | C4H8O3 |
Diethyl Acetylenedicarboxylate 96.0+%, TCI America™
CAS: 762-21-0 Molecular Formula: C8H10O4 Molecular Weight (g/mol): 170.164 MDL Number: MFCD00009186 InChI Key: STRNXFOUBFLVIN-UHFFFAOYSA-N Synonym: diethyl acetylenedicarboxylate,2-butynedioic acid, diethyl ester,diethyl 2-butynedioate,1,4-diethyl but-2-ynedioate,acetylenedicarboxylic acid, diethyl ester,acetylenedicarboxylic acid diethyl ester,diethylacetylenedicarboxylate,bis-ethoxycarbonyl acetylene,diethyl acetylene dicarboxylate,di-ethyl acetylenedicarboxylate PubChem CID: 69803 IUPAC Name: diethyl but-2-ynedioate SMILES: CCOC(=O)C#CC(=O)OCC
| PubChem CID | 69803 |
|---|---|
| CAS | 762-21-0 |
| Molecular Weight (g/mol) | 170.164 |
| MDL Number | MFCD00009186 |
| SMILES | CCOC(=O)C#CC(=O)OCC |
| Synonym | diethyl acetylenedicarboxylate,2-butynedioic acid, diethyl ester,diethyl 2-butynedioate,1,4-diethyl but-2-ynedioate,acetylenedicarboxylic acid, diethyl ester,acetylenedicarboxylic acid diethyl ester,diethylacetylenedicarboxylate,bis-ethoxycarbonyl acetylene,diethyl acetylene dicarboxylate,di-ethyl acetylenedicarboxylate |
| IUPAC Name | diethyl but-2-ynedioate |
| InChI Key | STRNXFOUBFLVIN-UHFFFAOYSA-N |
| Molecular Formula | C8H10O4 |
3-(4-Bromophenyl)propionic Acid 98.0+%, TCI America™
CAS: 1643-30-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD01310793 InChI Key: NCSTWHYWOVZDOC-UHFFFAOYSA-N Synonym: 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm PubChem CID: 2735609 IUPAC Name: 3-(4-bromophenyl)propanoic acid SMILES: C1=CC(=CC=C1CCC(=O)O)Br
| PubChem CID | 2735609 |
|---|---|
| CAS | 1643-30-7 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD01310793 |
| SMILES | C1=CC(=CC=C1CCC(=O)O)Br |
| Synonym | 3-4-bromophenyl propionic acid,3-4-bromophenyl propanoic acid,benzenepropanoic acid, 4-bromo,3-4-bromo-phenyl-propionic acid,p-bromohydrocinnamic acid,3-4-bromophenyl-propionic acid,3-4-bromophenyl propanoicacid,pubchem19769,4-bromohydrocinnamic acid,acmc-1c0vm |
| IUPAC Name | 3-(4-bromophenyl)propanoic acid |
| InChI Key | NCSTWHYWOVZDOC-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
2-Allenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 95.0+%, TCI America™
CAS: 865350-17-0 Molecular Formula: C9H15BO2 Molecular Weight (g/mol): 166.03 MDL Number: MFCD09265121 InChI Key: CJAOMXUZZONOSD-UHFFFAOYNA-N Synonym: Allenylboronic Acid Pinacol Ester PubChem CID: 11679867 IUPAC Name: 4,4,5,5-tetramethyl-2-(propa-1,2-dien-1-yl)-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C=C=C
| PubChem CID | 11679867 |
|---|---|
| CAS | 865350-17-0 |
| Molecular Weight (g/mol) | 166.03 |
| MDL Number | MFCD09265121 |
| SMILES | CC1(C)OB(OC1(C)C)C=C=C |
| Synonym | Allenylboronic Acid Pinacol Ester |
| IUPAC Name | 4,4,5,5-tetramethyl-2-(propa-1,2-dien-1-yl)-1,3,2-dioxaborolane |
| InChI Key | CJAOMXUZZONOSD-UHFFFAOYNA-N |
| Molecular Formula | C9H15BO2 |
DL-2-Methylbutyric Acid 97.0+%, TCI America™
CAS: 116-53-0 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00002669 InChI Key: WLAMNBDJUVNPJU-UHFFFAOYSA-N Synonym: 2-methylbutyric acid,dl-2-methylbutyric acid,butanoic acid, 2-methyl,ethylmethylacetic acid,methylbutyric acid,2-methyl butyric acid,2-methybutyric acid,methylethylacetic acid,active valeric acid,butyric acid, 2-methyl PubChem CID: 8314 ChEBI: CHEBI:37070 IUPAC Name: 2-methylbutanoic acid SMILES: CCC(C)C(=O)O
| PubChem CID | 8314 |
|---|---|
| CAS | 116-53-0 |
| Molecular Weight (g/mol) | 102.133 |
| ChEBI | CHEBI:37070 |
| MDL Number | MFCD00002669 |
| SMILES | CCC(C)C(=O)O |
| Synonym | 2-methylbutyric acid,dl-2-methylbutyric acid,butanoic acid, 2-methyl,ethylmethylacetic acid,methylbutyric acid,2-methyl butyric acid,2-methybutyric acid,methylethylacetic acid,active valeric acid,butyric acid, 2-methyl |
| IUPAC Name | 2-methylbutanoic acid |
| InChI Key | WLAMNBDJUVNPJU-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
Methyl p-Toluate 98.0+%, TCI America™
CAS: 99-75-2 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00008441 InChI Key: QSSJZLPUHJDYKF-UHFFFAOYSA-N Synonym: methyl p-toluate,methyl-p-toluate,p-carbomethoxytoluene,methyl 4-toluate,4-methylbenzoic acid methyl ester,methyl p-methylbenzoate,benzoic acid, 4-methyl-, methyl ester,4-methoxycarbonyl toluene,p-toluic acid, methyl ester,methyl p-toluenecarboxylate PubChem CID: 7455 IUPAC Name: methyl 4-methylbenzoate SMILES: CC1=CC=C(C=C1)C(=O)OC
| PubChem CID | 7455 |
|---|---|
| CAS | 99-75-2 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00008441 |
| SMILES | CC1=CC=C(C=C1)C(=O)OC |
| Synonym | methyl p-toluate,methyl-p-toluate,p-carbomethoxytoluene,methyl 4-toluate,4-methylbenzoic acid methyl ester,methyl p-methylbenzoate,benzoic acid, 4-methyl-, methyl ester,4-methoxycarbonyl toluene,p-toluic acid, methyl ester,methyl p-toluenecarboxylate |
| IUPAC Name | methyl 4-methylbenzoate |
| InChI Key | QSSJZLPUHJDYKF-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |