Organic acids and derivatives
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Pentaerythritol Tetrastearate (so called) 95.0+%, TCI America™
CAS: 115-83-3 Molecular Formula: C77H148O8 Molecular Weight (g/mol): 1202.02 MDL Number: MFCD00041922 InChI Key: OCKWAZCWKSMKNC-UHFFFAOYSA-N Synonym: pentaerythrityl tetrastearate,pentaerythritol tetrastearate,unii-w9q3dzs0eg,stearic acid, neopentanetetrayl ester,w9q3dzs0eg,3-octadecanoyloxy-2,2-bis octadecanoyloxymethyl propyl octadecanoate,octadecanoic acid, 2,2-bis 1-oxooctadecyl oxy methyl-1,3-propanediyl ester,pe tetrastearate,pentaerythrittetrastearat PubChem CID: 61037 IUPAC Name: 3-(octadecanoyloxy)-2,2-bis[(octadecanoyloxy)methyl]propyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
| PubChem CID | 61037 |
|---|---|
| CAS | 115-83-3 |
| Molecular Weight (g/mol) | 1202.02 |
| MDL Number | MFCD00041922 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC |
| Synonym | pentaerythrityl tetrastearate,pentaerythritol tetrastearate,unii-w9q3dzs0eg,stearic acid, neopentanetetrayl ester,w9q3dzs0eg,3-octadecanoyloxy-2,2-bis octadecanoyloxymethyl propyl octadecanoate,octadecanoic acid, 2,2-bis 1-oxooctadecyl oxy methyl-1,3-propanediyl ester,pe tetrastearate,pentaerythrittetrastearat |
| IUPAC Name | 3-(octadecanoyloxy)-2,2-bis[(octadecanoyloxy)methyl]propyl octadecanoate |
| InChI Key | OCKWAZCWKSMKNC-UHFFFAOYSA-N |
| Molecular Formula | C77H148O8 |
Methyl Pyruvate 97.0+%, TCI America™
CAS: 600-22-6 Molecular Formula: C4H6O3 Molecular Weight (g/mol): 102.089 MDL Number: MFCD00008754 InChI Key: CWKLZLBVOJRSOM-UHFFFAOYSA-N Synonym: methyl pyruvate,pyruvic acid, methyl ester,pyruvic acid methyl ester,methyl 2-oxopropionate,propanoic acid, 2-oxo-, methyl ester,methyl-pyruvate,methylglyoxylic acid methyl ester,unii-3kjm65g5xl,3kjm65g5xl,2-oxo-propionic acid methyl ester PubChem CID: 11748 ChEBI: CHEBI:51850 IUPAC Name: methyl 2-oxopropanoate SMILES: CC(=O)C(=O)OC
| PubChem CID | 11748 |
|---|---|
| CAS | 600-22-6 |
| Molecular Weight (g/mol) | 102.089 |
| ChEBI | CHEBI:51850 |
| MDL Number | MFCD00008754 |
| SMILES | CC(=O)C(=O)OC |
| Synonym | methyl pyruvate,pyruvic acid, methyl ester,pyruvic acid methyl ester,methyl 2-oxopropionate,propanoic acid, 2-oxo-, methyl ester,methyl-pyruvate,methylglyoxylic acid methyl ester,unii-3kjm65g5xl,3kjm65g5xl,2-oxo-propionic acid methyl ester |
| IUPAC Name | methyl 2-oxopropanoate |
| InChI Key | CWKLZLBVOJRSOM-UHFFFAOYSA-N |
| Molecular Formula | C4H6O3 |
Butyl Palmitate 95.0+%, TCI America™
CAS: 111-06-8 Molecular Formula: C20H40O2 Molecular Weight (g/mol): 312.54 MDL Number: MFCD00053738 InChI Key: GLYJVQDYLFAUFC-UHFFFAOYSA-N Synonym: Palmitic Acid Butyl Ester PubChem CID: 8090 IUPAC Name: butyl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OCCCC
| PubChem CID | 8090 |
|---|---|
| CAS | 111-06-8 |
| Molecular Weight (g/mol) | 312.54 |
| MDL Number | MFCD00053738 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OCCCC |
| Synonym | Palmitic Acid Butyl Ester |
| IUPAC Name | butyl hexadecanoate |
| InChI Key | GLYJVQDYLFAUFC-UHFFFAOYSA-N |
| Molecular Formula | C20H40O2 |
Benzoyl Trifluoromethanesulfonate 98.0+%, TCI America™
CAS: 36967-85-8 Molecular Formula: C8H5F3O4S Molecular Weight (g/mol): 254.18 MDL Number: MFCD17013536 InChI Key: GEZVJNXOBFDIPM-UHFFFAOYSA-N Synonym: Trifluoromethanesulfonic Acid Benzoyl Ester, Benzoyl Triflate PubChem CID: 11064956 IUPAC Name: trifluoromethanesulfonyl benzoate SMILES: FC(F)(F)S(=O)(=O)OC(=O)C1=CC=CC=C1
| PubChem CID | 11064956 |
|---|---|
| CAS | 36967-85-8 |
| Molecular Weight (g/mol) | 254.18 |
| MDL Number | MFCD17013536 |
| SMILES | FC(F)(F)S(=O)(=O)OC(=O)C1=CC=CC=C1 |
| Synonym | Trifluoromethanesulfonic Acid Benzoyl Ester, Benzoyl Triflate |
| IUPAC Name | trifluoromethanesulfonyl benzoate |
| InChI Key | GEZVJNXOBFDIPM-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O4S |
Triamyl Phosphate 98.0+%, TCI America™
CAS: 2528-38-3 Molecular Formula: C15H33O4P Molecular Weight (g/mol): 308.399 MDL Number: MFCD00015348 InChI Key: QJAVUVZBMMXBRO-UHFFFAOYSA-N Synonym: Phosphoric Acid Triamyl Ester, Tripentyl Phosphate PubChem CID: 75665 IUPAC Name: tripentyl phosphate SMILES: CCCCCOP(=O)(OCCCCC)OCCCCC
| PubChem CID | 75665 |
|---|---|
| CAS | 2528-38-3 |
| Molecular Weight (g/mol) | 308.399 |
| MDL Number | MFCD00015348 |
| SMILES | CCCCCOP(=O)(OCCCCC)OCCCCC |
| Synonym | Phosphoric Acid Triamyl Ester, Tripentyl Phosphate |
| IUPAC Name | tripentyl phosphate |
| InChI Key | QJAVUVZBMMXBRO-UHFFFAOYSA-N |
| Molecular Formula | C15H33O4P |
Tris(1,3-dichloro-2-propyl) Phosphate 95.0+%, TCI America™
CAS: 13674-87-8 Molecular Formula: C9H15Cl6O4P Molecular Weight (g/mol): 430.889 MDL Number: MFCD00083121 InChI Key: ASLWPAWFJZFCKF-UHFFFAOYSA-N Synonym: Phosphoric Acid Tris(1,3-dichloro-2-propyl) Ester PubChem CID: 26177 IUPAC Name: tris(1,3-dichloropropan-2-yl) phosphate SMILES: C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl
| PubChem CID | 26177 |
|---|---|
| CAS | 13674-87-8 |
| Molecular Weight (g/mol) | 430.889 |
| MDL Number | MFCD00083121 |
| SMILES | C(C(CCl)OP(=O)(OC(CCl)CCl)OC(CCl)CCl)Cl |
| Synonym | Phosphoric Acid Tris(1,3-dichloro-2-propyl) Ester |
| IUPAC Name | tris(1,3-dichloropropan-2-yl) phosphate |
| InChI Key | ASLWPAWFJZFCKF-UHFFFAOYSA-N |
| Molecular Formula | C9H15Cl6O4P |
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 |
Bismuth Tripotassium Dicitrate, TCI America™
CAS: 57644-54-9 Molecular Formula: C12H10BiK3O14 Molecular Weight (g/mol): 704.473 MDL Number: MFCD02101411 InChI Key: ZQUAVILLCXTKTF-UHFFFAOYSA-H PubChem CID: 10101269 IUPAC Name: bismuth;tripotassium;2-hydroxypropane-1,2,3-tricarboxylate 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.[K+].[K+].[K+].[Bi+3]
| PubChem CID | 10101269 |
|---|---|
| CAS | 57644-54-9 |
| Molecular Weight (g/mol) | 704.473 |
| MDL Number | MFCD02101411 |
| 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.[K+].[K+].[K+].[Bi+3] |
| IUPAC Name | bismuth;tripotassium;2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | ZQUAVILLCXTKTF-UHFFFAOYSA-H |
| Molecular Formula | C12H10BiK3O14 |
4-Benzyloxy-3-fluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 133057-83-7 Molecular Formula: C13H12BFO3 MDL Number: MFCD00994627 InChI Key: DQPDLDQJMUGVGI-UHFFFAOYSA-N PubChem CID: 2737788
| PubChem CID | 2737788 |
|---|---|
| CAS | 133057-83-7 |
| MDL Number | MFCD00994627 |
| InChI Key | DQPDLDQJMUGVGI-UHFFFAOYSA-N |
| Molecular Formula | C13H12BFO3 |
1,4-Butylenediphosphonic Acid 98.0+%, TCI America™
CAS: 4671-77-6 Molecular Formula: C4H8O6P2 Molecular Weight (g/mol): 214.05 MDL Number: MFCD01631212 InChI Key: JKTORXLUQLQJCM-UHFFFAOYSA-J Synonym: 1,4-butanediphosphonic acid,1,4-butylenediphosphonic acid,1,4-diphosphonobutane,tetramethylene phosphonic acid,butane-1,4-bisphosphonic acid,tetramethylenebisphosphonic acid,butane-1,4-diyldiphosphonic acid PubChem CID: 437082 IUPAC Name: (4-phosphonatobutyl)phosphonate SMILES: [O-]P([O-])(=O)CCCCP([O-])([O-])=O
| PubChem CID | 437082 |
|---|---|
| CAS | 4671-77-6 |
| Molecular Weight (g/mol) | 214.05 |
| MDL Number | MFCD01631212 |
| SMILES | [O-]P([O-])(=O)CCCCP([O-])([O-])=O |
| Synonym | 1,4-butanediphosphonic acid,1,4-butylenediphosphonic acid,1,4-diphosphonobutane,tetramethylene phosphonic acid,butane-1,4-bisphosphonic acid,tetramethylenebisphosphonic acid,butane-1,4-diyldiphosphonic acid |
| IUPAC Name | (4-phosphonatobutyl)phosphonate |
| InChI Key | JKTORXLUQLQJCM-UHFFFAOYSA-J |
| Molecular Formula | C4H8O6P2 |
4-Bromo-1-naphthaleneboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 145965-14-6 Molecular Formula: C10H8BBrO2 Molecular Weight (g/mol): 250.89 MDL Number: MFCD08701764 InChI Key: DKKOMUVRCPKTFX-UHFFFAOYSA-N Synonym: 4-bromonaphthalen-1-yl boronic acid,4-bromonaphthalene-1-boronic acid,4-bromo-1-naphthaleneboronic acid,boronic acid, 4-bromo-1-naphthalenyl,4-bromo-1-naphthalenyl-boronic acid,acmc-209cw4,ksc524o6f,4-bromo-1-naphthylboronic acid,1-bromonaphthalene-4-boronic acid,1-bromo-4-dihydroxyboryl naphthalene PubChem CID: 23005424 IUPAC Name: (4-bromonaphthalen-1-yl)boronic acid SMILES: OB(O)C1=C2C=CC=CC2=C(Br)C=C1
| PubChem CID | 23005424 |
|---|---|
| CAS | 145965-14-6 |
| Molecular Weight (g/mol) | 250.89 |
| MDL Number | MFCD08701764 |
| SMILES | OB(O)C1=C2C=CC=CC2=C(Br)C=C1 |
| Synonym | 4-bromonaphthalen-1-yl boronic acid,4-bromonaphthalene-1-boronic acid,4-bromo-1-naphthaleneboronic acid,boronic acid, 4-bromo-1-naphthalenyl,4-bromo-1-naphthalenyl-boronic acid,acmc-209cw4,ksc524o6f,4-bromo-1-naphthylboronic acid,1-bromonaphthalene-4-boronic acid,1-bromo-4-dihydroxyboryl naphthalene |
| IUPAC Name | (4-bromonaphthalen-1-yl)boronic acid |
| InChI Key | DKKOMUVRCPKTFX-UHFFFAOYSA-N |
| Molecular Formula | C10H8BBrO2 |
4-Hydroxybenzenesulfonic Acid Hydrate 85.0+%, TCI America™
CAS: 98-67-9 Molecular Formula: C6H6O4S Molecular Weight (g/mol): 174.17 MDL Number: MFCD00007506 InChI Key: FEPBITJSIHRMRT-UHFFFAOYSA-N Synonym: p-phenolsulfonic acid,phenolsulfonic acid,4-phenolsulfonic acid,p-sulfophenol,sulfocarbolic acid,benzenesulfonic acid, 4-hydroxy,p-hydroxybenzenesulfonic acid,phenol-4-sulfonic acid,benzenesulfonic acid, p-hydroxy,4-hydroxyphenylsulfonic acid PubChem CID: 4765 ChEBI: CHEBI:32354 IUPAC Name: 4-hydroxybenzene-1-sulfonic acid SMILES: OC1=CC=C(C=C1)S(O)(=O)=O
| PubChem CID | 4765 |
|---|---|
| CAS | 98-67-9 |
| Molecular Weight (g/mol) | 174.17 |
| ChEBI | CHEBI:32354 |
| MDL Number | MFCD00007506 |
| SMILES | OC1=CC=C(C=C1)S(O)(=O)=O |
| Synonym | p-phenolsulfonic acid,phenolsulfonic acid,4-phenolsulfonic acid,p-sulfophenol,sulfocarbolic acid,benzenesulfonic acid, 4-hydroxy,p-hydroxybenzenesulfonic acid,phenol-4-sulfonic acid,benzenesulfonic acid, p-hydroxy,4-hydroxyphenylsulfonic acid |
| IUPAC Name | 4-hydroxybenzene-1-sulfonic acid |
| InChI Key | FEPBITJSIHRMRT-UHFFFAOYSA-N |
| Molecular Formula | C6H6O4S |
1,4-Phenylenediamine Sulfate 98.0+%, TCI America™
CAS: 16245-77-5 Molecular Formula: C6H10N2O4S Molecular Weight (g/mol): 206.22 MDL Number: MFCD00035510 InChI Key: UFPKLWVNKAMAPE-UHFFFAOYSA-N Synonym: p-phenylenediamine sulfate,benzene-1,4-diamine sulfate,1,4-diaminobenzene sulfate,1,4-phenylenediamine sulfate,1,4-benzenediamine, sulfate 1:1,unii-s7igm30961,benzene-1,4-diamine; sulfuric acid,1,4-benzenediamine, sulfate,benzene-1,4-diammonium sulphate,1,4-benzenediamine sulfate PubChem CID: 27769 IUPAC Name: benzene-1,4-diamine; sulfuric acid SMILES: OS(O)(=O)=O.NC1=CC=C(N)C=C1
| PubChem CID | 27769 |
|---|---|
| CAS | 16245-77-5 |
| Molecular Weight (g/mol) | 206.22 |
| MDL Number | MFCD00035510 |
| SMILES | OS(O)(=O)=O.NC1=CC=C(N)C=C1 |
| Synonym | p-phenylenediamine sulfate,benzene-1,4-diamine sulfate,1,4-diaminobenzene sulfate,1,4-phenylenediamine sulfate,1,4-benzenediamine, sulfate 1:1,unii-s7igm30961,benzene-1,4-diamine; sulfuric acid,1,4-benzenediamine, sulfate,benzene-1,4-diammonium sulphate,1,4-benzenediamine sulfate |
| IUPAC Name | benzene-1,4-diamine; sulfuric acid |
| InChI Key | UFPKLWVNKAMAPE-UHFFFAOYSA-N |
| Molecular Formula | C6H10N2O4S |
trans-2-Phenyl-1-cyclopropanecarboxylic Acid 98.0+%, TCI America™
CAS: 939-90-2 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.188 MDL Number: MFCD00001292 InChI Key: AHDDRJBFJBDEPW-DTWKUNHWSA-N Synonym: trans-2-phenylcyclopropanecarboxylic acid,trans-2-phenyl-1-cyclopropanecarboxylic acid,1r,2r-2-phenylcyclopropanecarboxylic acid,trans-2-phenylcyclopropane-1-carboxylic acid,2-phcpcooh,1r,2r-2-phenylcyclopropane-1-carboxylic acid,cyclopropanecarboxylic acid, 2-phenyl-, 1r,2r-rel,rac trans-2-phenylcyclopropanecarboxylic-d5 acid,pubchem22341,trans-2-phenylcyclopropancarboxylic acid PubChem CID: 237413 ChEBI: CHEBI:79920 IUPAC Name: (1R,2R)-2-phenylcyclopropane-1-carboxylic acid SMILES: C1C(C1C(=O)O)C2=CC=CC=C2
| PubChem CID | 237413 |
|---|---|
| CAS | 939-90-2 |
| Molecular Weight (g/mol) | 162.188 |
| ChEBI | CHEBI:79920 |
| MDL Number | MFCD00001292 |
| SMILES | C1C(C1C(=O)O)C2=CC=CC=C2 |
| Synonym | trans-2-phenylcyclopropanecarboxylic acid,trans-2-phenyl-1-cyclopropanecarboxylic acid,1r,2r-2-phenylcyclopropanecarboxylic acid,trans-2-phenylcyclopropane-1-carboxylic acid,2-phcpcooh,1r,2r-2-phenylcyclopropane-1-carboxylic acid,cyclopropanecarboxylic acid, 2-phenyl-, 1r,2r-rel,rac trans-2-phenylcyclopropanecarboxylic-d5 acid,pubchem22341,trans-2-phenylcyclopropancarboxylic acid |
| IUPAC Name | (1R,2R)-2-phenylcyclopropane-1-carboxylic acid |
| InChI Key | AHDDRJBFJBDEPW-DTWKUNHWSA-N |
| Molecular Formula | C10H10O2 |
Pivalamide 98.0+%, TCI America™
CAS: 754-10-9 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.15 MDL Number: MFCD00008011 InChI Key: XIPFMBOWZXULIA-UHFFFAOYSA-N Synonym: pivalamide,trimethylacetamide,2,2,2-trimethylacetamide,propanamide, 2,2-dimethyl,2,2-dimethylpropionamide,2,2-dimethyl-propionamide,unii-fes86mr7zi,fes86mr7zi,propanamide,2,2-dimethyl,trimethylacetarnide PubChem CID: 12957 IUPAC Name: 2,2-dimethylpropanamide SMILES: CC(C)(C)C(N)=O
| PubChem CID | 12957 |
|---|---|
| CAS | 754-10-9 |
| Molecular Weight (g/mol) | 101.15 |
| MDL Number | MFCD00008011 |
| SMILES | CC(C)(C)C(N)=O |
| Synonym | pivalamide,trimethylacetamide,2,2,2-trimethylacetamide,propanamide, 2,2-dimethyl,2,2-dimethylpropionamide,2,2-dimethyl-propionamide,unii-fes86mr7zi,fes86mr7zi,propanamide,2,2-dimethyl,trimethylacetarnide |
| IUPAC Name | 2,2-dimethylpropanamide |
| InChI Key | XIPFMBOWZXULIA-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO |