Organic acids and derivatives
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n-Butyl acetate, ACS reagent
CAS: 123-86-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009445 InChI Key: DKPFZGUDAPQIHT-UHFFFAOYSA-N Synonym: n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle PubChem CID: 31272 ChEBI: CHEBI:31328 IUPAC Name: butyl acetate SMILES: CCCCOC(C)=O
| PubChem CID | 31272 |
|---|---|
| CAS | 123-86-4 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:31328 |
| MDL Number | MFCD00009445 |
| SMILES | CCCCOC(C)=O |
| Synonym | n-butyl acetate,acetic acid, butyl ester,1-butyl acetate,butyl ethanoate,acetic acid butyl ester,n-butyl ethanoate,n-butylacetate,butylacetat,acetic acid n-butyl ester,acetate de butyle |
| IUPAC Name | butyl acetate |
| InChI Key | DKPFZGUDAPQIHT-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Thermo Scientific Chemicals o-Cresolphthalein complexone, indicator grade
CAS: 2411-89-4 Molecular Formula: C32H32N2O12 Molecular Weight (g/mol): 636.61 MDL Number: MFCD00005911 InChI Key: IYZPEGVSBUNMBE-UHFFFAOYSA-N Synonym: o-cresolphthalein complexone,phthalein purple,cresolphthalexon,o-cresolphthalexon,phthalein complexon,o-cresolphthalein complexon,cresolphthalein complexon,metal phthalein,cresolphthalein complexone,unii-a4p6737i7f PubChem CID: 75485 IUPAC Name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid SMILES: CC1=CC(=CC(CN(CC(O)=O)CC(O)=O)=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC(C)=C(O)C(CN(CC(O)=O)CC(O)=O)=C1
| PubChem CID | 75485 |
|---|---|
| CAS | 2411-89-4 |
| Molecular Weight (g/mol) | 636.61 |
| MDL Number | MFCD00005911 |
| SMILES | CC1=CC(=CC(CN(CC(O)=O)CC(O)=O)=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC(C)=C(O)C(CN(CC(O)=O)CC(O)=O)=C1 |
| Synonym | o-cresolphthalein complexone,phthalein purple,cresolphthalexon,o-cresolphthalexon,phthalein complexon,o-cresolphthalein complexon,cresolphthalein complexon,metal phthalein,cresolphthalein complexone,unii-a4p6737i7f |
| IUPAC Name | 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxymethyl)amino]acetic acid |
| InChI Key | IYZPEGVSBUNMBE-UHFFFAOYSA-N |
| Molecular Formula | C32H32N2O12 |
Ethylene carbonate, 99+%
CAS: 96-49-1 Molecular Formula: C3H4O3 Molecular Weight (g/mol): 88.06 MDL Number: MFCD00005382 InChI Key: KMTRUDSVKNLOMY-UHFFFAOYSA-N Synonym: ethylene carbonate,glycol carbonate,ethylene glycol carbonate,dioxolone-2,cyclic ethylene carbonate,ethylene carbonic acid,1,3-dioxacyclopentan-2-one,2-dioxolone,carbonic acid, cyclic ethylene ester,texacar ec PubChem CID: 7303 IUPAC Name: 1,3-dioxolan-2-one SMILES: C1COC(=O)O1
| PubChem CID | 7303 |
|---|---|
| CAS | 96-49-1 |
| Molecular Weight (g/mol) | 88.06 |
| MDL Number | MFCD00005382 |
| SMILES | C1COC(=O)O1 |
| Synonym | ethylene carbonate,glycol carbonate,ethylene glycol carbonate,dioxolone-2,cyclic ethylene carbonate,ethylene carbonic acid,1,3-dioxacyclopentan-2-one,2-dioxolone,carbonic acid, cyclic ethylene ester,texacar ec |
| IUPAC Name | 1,3-dioxolan-2-one |
| InChI Key | KMTRUDSVKNLOMY-UHFFFAOYSA-N |
| Molecular Formula | C3H4O3 |
4-Aminoantipyrine, 99%, MP Biomedicals™
Molecular Formula: C11H13N3O InChI Key: RLFWWDJHLFCNIJ-UHFFFAOYSA-N PubChem CID: 2151
| PubChem CID | 2151 |
|---|---|
| InChI Key | RLFWWDJHLFCNIJ-UHFFFAOYSA-N |
| Molecular Formula | C11H13N3O |
Thermo Scientific Chemicals Pyridoxal 5-phosphate monohydrate, 99%
CAS: 41468-25-1 Molecular Formula: C8H10NO6P Molecular Weight (g/mol): 247.14 MDL Number: MFCD00006333 InChI Key: NGVDGCNFYWLIFO-UHFFFAOYSA-N Synonym: 4-formyl-5-hydroxy-6-methylpyridin-3-yl methyl dihydrogen phosphate hydrate,pyridoxal phosphate hydrate,pyridoxal 5-phosphate monohydrate,phosphopyridoxal monohydrate,pyridoxyl phosphate monohydrate,unii-5v5ioj8338,pyridoxal-5-phosphate, monohydrate,pyridoxal-5'-phosphate monohydrate,pyridoxal-5-phosphate monohydrate,pyridoxal 5'-phosphate monohydrate PubChem CID: 38882 SMILES: CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O
| PubChem CID | 38882 |
|---|---|
| CAS | 41468-25-1 |
| Molecular Weight (g/mol) | 247.14 |
| MDL Number | MFCD00006333 |
| SMILES | CC1=NC=C(COP(O)(O)=O)C(C=O)=C1O |
| Synonym | 4-formyl-5-hydroxy-6-methylpyridin-3-yl methyl dihydrogen phosphate hydrate,pyridoxal phosphate hydrate,pyridoxal 5-phosphate monohydrate,phosphopyridoxal monohydrate,pyridoxyl phosphate monohydrate,unii-5v5ioj8338,pyridoxal-5-phosphate, monohydrate,pyridoxal-5'-phosphate monohydrate,pyridoxal-5-phosphate monohydrate,pyridoxal 5'-phosphate monohydrate |
| InChI Key | NGVDGCNFYWLIFO-UHFFFAOYSA-N |
| Molecular Formula | C8H10NO6P |
D-(+)-Malic acid, 98+%
CAS: 636-61-3 Molecular Formula: C4H6O5 Molecular Weight (g/mol): 134.09 MDL Number: MFCD00004245 InChI Key: BJEPYKJPYRNKOW-UHFFFAOYNA-N Synonym: d-+-malic acid,d-malic acid,d +-malic acid,r-2-hydroxysuccinic acid,r-malic acid,malic acid, d,2r-2-hydroxybutanedioic acid,l +-malic acid,d-malate PubChem CID: 92824 ChEBI: CHEBI:30796 IUPAC Name: (2R)-2-hydroxybutanedioic acid SMILES: OC(CC(O)=O)C(O)=O
| PubChem CID | 92824 |
|---|---|
| CAS | 636-61-3 |
| Molecular Weight (g/mol) | 134.09 |
| ChEBI | CHEBI:30796 |
| MDL Number | MFCD00004245 |
| SMILES | OC(CC(O)=O)C(O)=O |
| Synonym | d-+-malic acid,d-malic acid,d +-malic acid,r-2-hydroxysuccinic acid,r-malic acid,malic acid, d,2r-2-hydroxybutanedioic acid,l +-malic acid,d-malate |
| IUPAC Name | (2R)-2-hydroxybutanedioic acid |
| InChI Key | BJEPYKJPYRNKOW-UHFFFAOYNA-N |
| Molecular Formula | C4H6O5 |
Methacrylic acid, 99%, stab. with 100-250ppm hydroquinone or 4-methoxyphenol
CAS: 79-41-4 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00002651 InChI Key: CERQOIWHTDAKMF-UHFFFAOYSA-N Synonym: methacrylic acid,2-methylacrylic acid,2-propenoic acid, 2-methyl,methylacrylic acid,2-methylpropenoic acid,2-methyl-2-propenoic acid,alpha-methacrylic acid,alpha-methylacrylic acid,2-methylenepropionic acid,acrylic acid, 2-methyl PubChem CID: 4093 ChEBI: CHEBI:25219 IUPAC Name: 2-methylprop-2-enoic acid
| PubChem CID | 4093 |
|---|---|
| CAS | 79-41-4 |
| Molecular Weight (g/mol) | 86.09 |
| ChEBI | CHEBI:25219 |
| MDL Number | MFCD00002651 |
| Synonym | methacrylic acid,2-methylacrylic acid,2-propenoic acid, 2-methyl,methylacrylic acid,2-methylpropenoic acid,2-methyl-2-propenoic acid,alpha-methacrylic acid,alpha-methylacrylic acid,2-methylenepropionic acid,acrylic acid, 2-methyl |
| IUPAC Name | 2-methylprop-2-enoic acid |
| InChI Key | CERQOIWHTDAKMF-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2 |
Tamoxifen citrate
CAS: 54965-24-1 Molecular Formula: C32H37NO8 Molecular Weight (g/mol): 563.65 MDL Number: MFCD00058321 InChI Key: FQZYTYWMLGAPFJ-OQKDUQJOSA-N Synonym: tamoxifen citrate,istubal,zitazonium,unii-7frv7310n6,i.c.i. 46474 citrate,tamoxifen citrate salt,farmifeno,ginarsan,jenoxifen PubChem CID: 2733525 ChEBI: CHEBI:9397 IUPAC Name: (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
| PubChem CID | 2733525 |
|---|---|
| CAS | 54965-24-1 |
| Molecular Weight (g/mol) | 563.65 |
| ChEBI | CHEBI:9397 |
| MDL Number | MFCD00058321 |
| SMILES | OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 |
| Synonym | tamoxifen citrate,istubal,zitazonium,unii-7frv7310n6,i.c.i. 46474 citrate,tamoxifen citrate salt,farmifeno,ginarsan,jenoxifen |
| IUPAC Name | (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI Key | FQZYTYWMLGAPFJ-OQKDUQJOSA-N |
| Molecular Formula | C32H37NO8 |
2-Naphthyl acetate, 99%
CAS: 1523-11-1 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00004060 InChI Key: RJNPPEUAJCEUPV-UHFFFAOYSA-N Synonym: 2-naphthyl acetate,2-acetoxynaphthalene,2-naphthalenol, acetate,beta-naphthyl acetate,2-naphthol, acetate,naphthalene, 2-acetoxy,2-naphthalenol, 2-acetate,.beta.-naphthol acetate,.beta.-naphthyl acetate,o-acetyl-.beta.-naphthol PubChem CID: 73709 IUPAC Name: naphthalen-2-yl acetate SMILES: CC(=O)OC1=CC=C2C=CC=CC2=C1
| PubChem CID | 73709 |
|---|---|
| CAS | 1523-11-1 |
| Molecular Weight (g/mol) | 186.21 |
| MDL Number | MFCD00004060 |
| SMILES | CC(=O)OC1=CC=C2C=CC=CC2=C1 |
| Synonym | 2-naphthyl acetate,2-acetoxynaphthalene,2-naphthalenol, acetate,beta-naphthyl acetate,2-naphthol, acetate,naphthalene, 2-acetoxy,2-naphthalenol, 2-acetate,.beta.-naphthol acetate,.beta.-naphthyl acetate,o-acetyl-.beta.-naphthol |
| IUPAC Name | naphthalen-2-yl acetate |
| InChI Key | RJNPPEUAJCEUPV-UHFFFAOYSA-N |
| Molecular Formula | C12H10O2 |
Sodium 1-Pentanesulfonate 98.0+%, TCI America™
CAS: 22767-49-3 Molecular Formula: C5H11NaO3S Molecular Weight (g/mol): 174.19 MDL Number: MFCD00007541,MFCD00149548 InChI Key: ROBLTDOHDSGGDT-UHFFFAOYSA-M Synonym: sodium 1-pentanesulfonate,sodium pentane-1-sulfonate,sodium pentanesulfonate,1-pentanesulfonic acid sodium salt,1-pentanesulfonic acid, sodium salt,1-pentylsodiumsulfonate,ipc-alks-5,1-pentanesulfonate, sodium,pentanesulfonic acid na-salt,pentanesulfonic acidsodiumsalt PubChem CID: 23664617 IUPAC Name: sodium pentane-1-sulfonate SMILES: [Na+].CCCCCS([O-])(=O)=O
| PubChem CID | 23664617 |
|---|---|
| CAS | 22767-49-3 |
| Molecular Weight (g/mol) | 174.19 |
| MDL Number | MFCD00007541,MFCD00149548 |
| SMILES | [Na+].CCCCCS([O-])(=O)=O |
| Synonym | sodium 1-pentanesulfonate,sodium pentane-1-sulfonate,sodium pentanesulfonate,1-pentanesulfonic acid sodium salt,1-pentanesulfonic acid, sodium salt,1-pentylsodiumsulfonate,ipc-alks-5,1-pentanesulfonate, sodium,pentanesulfonic acid na-salt,pentanesulfonic acidsodiumsalt |
| IUPAC Name | sodium pentane-1-sulfonate |
| InChI Key | ROBLTDOHDSGGDT-UHFFFAOYSA-M |
| Molecular Formula | C5H11NaO3S |
Sodium 1-heptanesulfonate monohydrate, 99%
CAS: 207300-90-1 Molecular Formula: C7H17NaO4S Molecular Weight (g/mol): 220.259 MDL Number: MFCD00149550 InChI Key: XWZCREJRXRKIRQ-UHFFFAOYSA-M Synonym: sodium heptane-1-sulfonate hydrate,1-heptanesulfonic acid sodium salt monohydrate,sodium 1-heptanesulfonate monohydrate,sodium 1-heptanesulfonate hydrate,sodium1-heptanesulfonatemonohydrate,potassium heptane-1-sulfonate hydrate,sodium heptane-1-sulfonate-water 1/1/1,sodium 1-heptanesulfonate monohydrate t,sodium 1-heptanesulfonate monohydrate, for hplc PubChem CID: 23687711 IUPAC Name: sodium;heptane-1-sulfonate;hydrate SMILES: CCCCCCCS(=O)(=O)[O-].O.[Na+]
| PubChem CID | 23687711 |
|---|---|
| CAS | 207300-90-1 |
| Molecular Weight (g/mol) | 220.259 |
| MDL Number | MFCD00149550 |
| SMILES | CCCCCCCS(=O)(=O)[O-].O.[Na+] |
| Synonym | sodium heptane-1-sulfonate hydrate,1-heptanesulfonic acid sodium salt monohydrate,sodium 1-heptanesulfonate monohydrate,sodium 1-heptanesulfonate hydrate,sodium1-heptanesulfonatemonohydrate,potassium heptane-1-sulfonate hydrate,sodium heptane-1-sulfonate-water 1/1/1,sodium 1-heptanesulfonate monohydrate t,sodium 1-heptanesulfonate monohydrate, for hplc |
| IUPAC Name | sodium;heptane-1-sulfonate;hydrate |
| InChI Key | XWZCREJRXRKIRQ-UHFFFAOYSA-M |
| Molecular Formula | C7H17NaO4S |
tert-Butylphosphonic acid, 98%
CAS: 4923-84-6 Molecular Formula: C4H9O3P Molecular Weight (g/mol): 136.09 MDL Number: MFCD00012296 InChI Key: OGDSVONAYZTTDA-UHFFFAOYSA-L Synonym: phosphonic acid, 1,1-dimethylethyl,acmc-20ajka,t-butylphosphonic acid,tert-butylphosphonic acid,2-methylprop-2-ylphosphonic acid,phosphonicacid, 1,1-dimethylethyl PubChem CID: 312546 IUPAC Name: tert-butylphosphonic acid SMILES: CC(C)(C)P([O-])([O-])=O
| PubChem CID | 312546 |
|---|---|
| CAS | 4923-84-6 |
| Molecular Weight (g/mol) | 136.09 |
| MDL Number | MFCD00012296 |
| SMILES | CC(C)(C)P([O-])([O-])=O |
| Synonym | phosphonic acid, 1,1-dimethylethyl,acmc-20ajka,t-butylphosphonic acid,tert-butylphosphonic acid,2-methylprop-2-ylphosphonic acid,phosphonicacid, 1,1-dimethylethyl |
| IUPAC Name | tert-butylphosphonic acid |
| InChI Key | OGDSVONAYZTTDA-UHFFFAOYSA-L |
| Molecular Formula | C4H9O3P |
4-Nitrophenyl sulfate, potassium salt, 99+%
CAS: 6217-68-1 Molecular Formula: C6H4KNO6S Molecular Weight (g/mol): 257.26 MDL Number: MFCD00007466 InChI Key: BITVAZYUWRLLCN-UHFFFAOYSA-M Synonym: potassium 4-nitrophenyl sulfate,potassium 4-nitrophenyl sulphate,4-nitrophenyl sulfate potassium salt,potassium p-nitrophenyl sulfate,sulfuric acid, mono 4-nitrophenyl ester, potassium salt,sulfuric acid, mono 4-nitrophenyl ester, potassium salt 1:1,p-nitrophenyl sulfate potassium salt,potassium p-nitrophenyl sulphate,phenol, p-nitro-, hydrogen sulfate ester , potassium salt PubChem CID: 80348 IUPAC Name: potassium;(4-nitrophenyl) sulfate SMILES: [K+].[O-][N+](=O)C1=CC=C(OS([O-])(=O)=O)C=C1
| PubChem CID | 80348 |
|---|---|
| CAS | 6217-68-1 |
| Molecular Weight (g/mol) | 257.26 |
| MDL Number | MFCD00007466 |
| SMILES | [K+].[O-][N+](=O)C1=CC=C(OS([O-])(=O)=O)C=C1 |
| Synonym | potassium 4-nitrophenyl sulfate,potassium 4-nitrophenyl sulphate,4-nitrophenyl sulfate potassium salt,potassium p-nitrophenyl sulfate,sulfuric acid, mono 4-nitrophenyl ester, potassium salt,sulfuric acid, mono 4-nitrophenyl ester, potassium salt 1:1,p-nitrophenyl sulfate potassium salt,potassium p-nitrophenyl sulphate,phenol, p-nitro-, hydrogen sulfate ester , potassium salt |
| IUPAC Name | potassium;(4-nitrophenyl) sulfate |
| InChI Key | BITVAZYUWRLLCN-UHFFFAOYSA-M |
| Molecular Formula | C6H4KNO6S |
Potassium sodium L-tartrate tetrahydrate, 99%
CAS: 6381-59-5 Molecular Formula: C4H12KNaO10 Molecular Weight (g/mol): 282.218 MDL Number: MFCD00150989 InChI Key: VZOPRCCTKLAGPN-UHFFFAOYSA-L Synonym: potassium sodium tartrate tetrahydrate,sodium potassium tartrate tetrahydrate,monopotassium monosodium tartrate tetrahydrate,sodiumpotassiumtartrate,tetr,potassium sodium 2,3-dihydroxybutanedioate tetrahydrate,potassium sodium tetrahydrate tartrate,l +-tartaric acid potassium sodium salt,acmc-209nif,acmc-20aju8,ksc493o7j PubChem CID: 2724148 IUPAC Name: potassium;sodium;2,3-dihydroxybutanedioate;tetrahydrate SMILES: C(C(C(=O)[O-])O)(C(=O)[O-])O.O.O.O.O.[Na+].[K+]
| PubChem CID | 2724148 |
|---|---|
| CAS | 6381-59-5 |
| Molecular Weight (g/mol) | 282.218 |
| MDL Number | MFCD00150989 |
| SMILES | C(C(C(=O)[O-])O)(C(=O)[O-])O.O.O.O.O.[Na+].[K+] |
| Synonym | potassium sodium tartrate tetrahydrate,sodium potassium tartrate tetrahydrate,monopotassium monosodium tartrate tetrahydrate,sodiumpotassiumtartrate,tetr,potassium sodium 2,3-dihydroxybutanedioate tetrahydrate,potassium sodium tetrahydrate tartrate,l +-tartaric acid potassium sodium salt,acmc-209nif,acmc-20aju8,ksc493o7j |
| IUPAC Name | potassium;sodium;2,3-dihydroxybutanedioate;tetrahydrate |
| InChI Key | VZOPRCCTKLAGPN-UHFFFAOYSA-L |
| Molecular Formula | C4H12KNaO10 |
Calcium citrate tetrahydrate, 96%
CAS: 5785-44-4 Molecular Formula: C12H18Ca3O18 Molecular Weight (g/mol): 570.492 MDL Number: MFCD00150786 InChI Key: LNIZKKFWMDARJV-UHFFFAOYSA-H Synonym: calcium citrate tetrahydrate,unii-mlm29u2x85,calcium citrate usp,tricalcium dicitrate tetrahydrate,citric acid calcium salt,citracal tn,calcium citrate 3:2 , tetrahydrate,acmc-20aliq,ksc493e4f PubChem CID: 5282392 IUPAC Name: tricalcium;2-hydroxypropane-1,2,3-tricarboxylate;tetrahydrate SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O.[Ca+2].[Ca+2].[Ca+2]
| PubChem CID | 5282392 |
|---|---|
| CAS | 5785-44-4 |
| Molecular Weight (g/mol) | 570.492 |
| MDL Number | MFCD00150786 |
| SMILES | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O.[Ca+2].[Ca+2].[Ca+2] |
| Synonym | calcium citrate tetrahydrate,unii-mlm29u2x85,calcium citrate usp,tricalcium dicitrate tetrahydrate,citric acid calcium salt,citracal tn,calcium citrate 3:2 , tetrahydrate,acmc-20aliq,ksc493e4f |
| IUPAC Name | tricalcium;2-hydroxypropane-1,2,3-tricarboxylate;tetrahydrate |
| InChI Key | LNIZKKFWMDARJV-UHFFFAOYSA-H |
| Molecular Formula | C12H18Ca3O18 |