Carboxylic acids and derivatives
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3-(p-Tolyl)propionic Acid 98.0+%, TCI America™
CAS: 1505-50-6 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.2 MDL Number: MFCD00016561 InChI Key: LDYGRLNSOKABMM-UHFFFAOYSA-N Synonym: 3-4-methylphenyl propionic acid,3-p-tolyl propionic acid,3-p-tolyl propanoic acid,benzenepropanoic acid, 4-methyl,3-4-methylphenyl propanoic acid,4-methylphenylpropionic acid,3-p-tolylpropanoic acid,p-methylhydrocinnamic acid,4-methyl phenyl propionic acid,4-methylhydrocinnamic acid PubChem CID: 73927 IUPAC Name: 3-(4-methylphenyl)propanoic acid SMILES: CC1=CC=C(CCC(O)=O)C=C1
| PubChem CID | 73927 |
|---|---|
| CAS | 1505-50-6 |
| Molecular Weight (g/mol) | 164.2 |
| MDL Number | MFCD00016561 |
| SMILES | CC1=CC=C(CCC(O)=O)C=C1 |
| Synonym | 3-4-methylphenyl propionic acid,3-p-tolyl propionic acid,3-p-tolyl propanoic acid,benzenepropanoic acid, 4-methyl,3-4-methylphenyl propanoic acid,4-methylphenylpropionic acid,3-p-tolylpropanoic acid,p-methylhydrocinnamic acid,4-methyl phenyl propionic acid,4-methylhydrocinnamic acid |
| IUPAC Name | 3-(4-methylphenyl)propanoic acid |
| InChI Key | LDYGRLNSOKABMM-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
| PubChem CID | 2773375 |
|---|---|
| CAS | 389621-80-1 |
| MDL Number | MFCD03411949 |
| Color | White |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | [4-(diethylcarbamoyl)phenyl]boronic acid |
| InChI Key | ZCGVBHIMRVYWOH-UHFFFAOYSA-N |
| Molecular Formula | C11H16BNO3 |
| Formula Weight | 221.06 |
| Melting Point | 142°C |
PluriSIn 1 98.0+%, TCI America™
CAS: 91396-88-2 Molecular Formula: C12H11N3O Molecular Weight (g/mol): 213.24 MDL Number: MFCD02344904 InChI Key: HUDWXDLBWRHCKO-UHFFFAOYSA-N Synonym: plurisln 1,n'-phenylisonicotinohydrazide,plurisln 1 nsc 14613,plurisin 1,plurisin #1 nsc 14613,plurisin #1,4-pyridinecarboxylicacid, 2-phenylhydrazide,4-pyridinecarboxylic acid 2-phenylhydrazide,plurisln,plurisln1 PubChem CID: 225362 IUPAC Name: N'-phenylpyridine-4-carbohydrazide SMILES: O=C(NNC1=CC=CC=C1)C1=CC=NC=C1
| PubChem CID | 225362 |
|---|---|
| CAS | 91396-88-2 |
| Molecular Weight (g/mol) | 213.24 |
| MDL Number | MFCD02344904 |
| SMILES | O=C(NNC1=CC=CC=C1)C1=CC=NC=C1 |
| Synonym | plurisln 1,n'-phenylisonicotinohydrazide,plurisln 1 nsc 14613,plurisin 1,plurisin #1 nsc 14613,plurisin #1,4-pyridinecarboxylicacid, 2-phenylhydrazide,4-pyridinecarboxylic acid 2-phenylhydrazide,plurisln,plurisln1 |
| IUPAC Name | N'-phenylpyridine-4-carbohydrazide |
| InChI Key | HUDWXDLBWRHCKO-UHFFFAOYSA-N |
| Molecular Formula | C12H11N3O |
Diethylenetriaminepentaacetic Acid Calcium Trisodium Salt Hydrate 98.0+%, TCI America™
CAS: 207226-35-5 Molecular Formula: C14H20CaN3Na3O11 Molecular Weight (g/mol): 515.37 MDL Number: MFCD00150947 InChI Key: AWBWYUNJDQLQGT-UHFFFAOYSA-I Synonym: Calcium Trisodium Diethylenetriaminepentaacetate PubChem CID: 17749130 IUPAC Name: calcium trisodium 2-[bis({2-[bis(carboxylatomethyl)amino]ethyl})amino]acetate hydrate SMILES: O.[Na+].[Na+].[Na+].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O
| PubChem CID | 17749130 |
|---|---|
| CAS | 207226-35-5 |
| Molecular Weight (g/mol) | 515.37 |
| MDL Number | MFCD00150947 |
| SMILES | O.[Na+].[Na+].[Na+].[Ca++].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O |
| Synonym | Calcium Trisodium Diethylenetriaminepentaacetate |
| IUPAC Name | calcium trisodium 2-[bis({2-[bis(carboxylatomethyl)amino]ethyl})amino]acetate hydrate |
| InChI Key | AWBWYUNJDQLQGT-UHFFFAOYSA-I |
| Molecular Formula | C14H20CaN3Na3O11 |
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 |
Isopropyl Palmitate 97.0+%, TCI America™
CAS: 142-91-6 Molecular Formula: C19H38O2 Molecular Weight (g/mol): 298.51 MDL Number: MFCD00008993 InChI Key: XUGNVMKQXJXZCD-UHFFFAOYSA-N Synonym: isopropyl palmitate,isopropyl hexadecanoate,isopalm,deltyl,isopal,propal,deltyl prime,tegester isopalm,ja-fa ippkessco,sinnoester pit PubChem CID: 8907 ChEBI: CHEBI:84262 IUPAC Name: propan-2-yl hexadecanoate SMILES: CCCCCCCCCCCCCCCC(=O)OC(C)C
| PubChem CID | 8907 |
|---|---|
| CAS | 142-91-6 |
| Molecular Weight (g/mol) | 298.51 |
| ChEBI | CHEBI:84262 |
| MDL Number | MFCD00008993 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC(C)C |
| Synonym | isopropyl palmitate,isopropyl hexadecanoate,isopalm,deltyl,isopal,propal,deltyl prime,tegester isopalm,ja-fa ippkessco,sinnoester pit |
| IUPAC Name | propan-2-yl hexadecanoate |
| InChI Key | XUGNVMKQXJXZCD-UHFFFAOYSA-N |
| Molecular Formula | C19H38O2 |
1,3,5-Pentanetricarboxylic Acid 98.0+%, TCI America™
CAS: 6940-58-5 Molecular Formula: C8H12O6 Molecular Weight (g/mol): 204.18 MDL Number: MFCD00020546 InChI Key: ROTJZTYLACIJIG-UHFFFAOYSA-N PubChem CID: 96220 IUPAC Name: pentane-1,3,5-tricarboxylic acid SMILES: OC(=O)CCC(CCC(O)=O)C(O)=O
| PubChem CID | 96220 |
|---|---|
| CAS | 6940-58-5 |
| Molecular Weight (g/mol) | 204.18 |
| MDL Number | MFCD00020546 |
| SMILES | OC(=O)CCC(CCC(O)=O)C(O)=O |
| IUPAC Name | pentane-1,3,5-tricarboxylic acid |
| InChI Key | ROTJZTYLACIJIG-UHFFFAOYSA-N |
| Molecular Formula | C8H12O6 |
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 |
Isobutyl Propionate 98.0+%, TCI America™
CAS: 540-42-1 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00009307 InChI Key: FZXRXKLUIMKDEL-UHFFFAOYSA-N Synonym: isobutyl propionate,isobutyl propanoate,2-methylpropyl propionate,propanoic acid, 2-methylpropyl ester,propionic acid isobutyl ester,propionic acid, isobutyl ester,methyl isobutyl acetate,2-methyl-1-propyl propanoate,unii-8q382jsy9t,isobutyl propionate natural PubChem CID: 10895 IUPAC Name: 2-methylpropyl propanoate SMILES: CCC(=O)OCC(C)C
| PubChem CID | 10895 |
|---|---|
| CAS | 540-42-1 |
| Molecular Weight (g/mol) | 130.19 |
| MDL Number | MFCD00009307 |
| SMILES | CCC(=O)OCC(C)C |
| Synonym | isobutyl propionate,isobutyl propanoate,2-methylpropyl propionate,propanoic acid, 2-methylpropyl ester,propionic acid isobutyl ester,propionic acid, isobutyl ester,methyl isobutyl acetate,2-methyl-1-propyl propanoate,unii-8q382jsy9t,isobutyl propionate natural |
| IUPAC Name | 2-methylpropyl propanoate |
| InChI Key | FZXRXKLUIMKDEL-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
Ethyl Propiolate 98.0+%, TCI America™
CAS: 623-47-2 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.10 MDL Number: MFCD00009184 InChI Key: FMVJYQGSRWVMQV-UHFFFAOYSA-N Synonym: 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 PubChem CID: 12182 ChEBI: CHEBI:51740 IUPAC Name: ethyl prop-2-ynoate SMILES: CCOC(=O)C#C
| PubChem CID | 12182 |
|---|---|
| CAS | 623-47-2 |
| Molecular Weight (g/mol) | 98.10 |
| ChEBI | CHEBI:51740 |
| MDL Number | MFCD00009184 |
| SMILES | CCOC(=O)C#C |
| Synonym | 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 |
| IUPAC Name | ethyl prop-2-ynoate |
| InChI Key | FMVJYQGSRWVMQV-UHFFFAOYSA-N |
| Molecular Formula | C5H6O2 |
Ethyl 3-Phenylpropionate 98.0+%, TCI America™
CAS: 2021-28-5 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00009206 InChI Key: JAGZUIGGHGTFHO-UHFFFAOYSA-N Synonym: ethyl 3-phenylpropionate,ethyl hydrocinnamate,ethyl dihydrocinnamate,benzenepropanoic acid, ethyl ester,3-phenylpropionic acid ethyl ester,hydrocinnamic acid, ethyl ester,ethylhydrocinnamoate,ethyl benzenepropanoate,unii-58e9z9v64d,ethylphenyl propanoate PubChem CID: 16237 IUPAC Name: ethyl 3-phenylpropanoate SMILES: CCOC(=O)CCC1=CC=CC=C1
| PubChem CID | 16237 |
|---|---|
| CAS | 2021-28-5 |
| Molecular Weight (g/mol) | 178.231 |
| MDL Number | MFCD00009206 |
| SMILES | CCOC(=O)CCC1=CC=CC=C1 |
| Synonym | ethyl 3-phenylpropionate,ethyl hydrocinnamate,ethyl dihydrocinnamate,benzenepropanoic acid, ethyl ester,3-phenylpropionic acid ethyl ester,hydrocinnamic acid, ethyl ester,ethylhydrocinnamoate,ethyl benzenepropanoate,unii-58e9z9v64d,ethylphenyl propanoate |
| IUPAC Name | ethyl 3-phenylpropanoate |
| InChI Key | JAGZUIGGHGTFHO-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
2-Phenylethyl Isobutyrate 98.0+%, TCI America™
CAS: 103-48-0 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.26 MDL Number: MFCD00026441 InChI Key: JDQVBGQWADMTAM-UHFFFAOYSA-N Synonym: Isobutyric Acid 2-Phenylethyl Ester, Phenethyl Isobutyrate, Isobutyric Acid Phenethyl Ester PubChem CID: 7655 ChEBI: CHEBI:87409 IUPAC Name: 2-phenylethyl 2-methylpropanoate SMILES: CC(C)C(=O)OCCC1=CC=CC=C1
| PubChem CID | 7655 |
|---|---|
| CAS | 103-48-0 |
| Molecular Weight (g/mol) | 192.26 |
| ChEBI | CHEBI:87409 |
| MDL Number | MFCD00026441 |
| SMILES | CC(C)C(=O)OCCC1=CC=CC=C1 |
| Synonym | Isobutyric Acid 2-Phenylethyl Ester, Phenethyl Isobutyrate, Isobutyric Acid Phenethyl Ester |
| IUPAC Name | 2-phenylethyl 2-methylpropanoate |
| InChI Key | JDQVBGQWADMTAM-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |
2-Phosphonobutane-1,2,4-tricarboxylic Acid (ca. 50% in Water), TCI America™
CAS: 37971-36-1 Molecular Formula: C7H11O9P Molecular Weight (g/mol): 270.13 MDL Number: MFCD01940753 InChI Key: SZHQPBJEOCHCKM-UHFFFAOYSA-N Synonym: 3-Carboxy-3-phosphonohexanedioic Acid, PBTC PubChem CID: 61973 IUPAC Name: 2-phosphonobutane-1,2,4-tricarboxylic acid SMILES: C(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O
| PubChem CID | 61973 |
|---|---|
| CAS | 37971-36-1 |
| Molecular Weight (g/mol) | 270.13 |
| MDL Number | MFCD01940753 |
| SMILES | C(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O |
| Synonym | 3-Carboxy-3-phosphonohexanedioic Acid, PBTC |
| IUPAC Name | 2-phosphonobutane-1,2,4-tricarboxylic acid |
| InChI Key | SZHQPBJEOCHCKM-UHFFFAOYSA-N |
| Molecular Formula | C7H11O9P |
Pentaerythritol Tetraacrylate (stabilized with MEHQ) 80.0+%, TCI America™
CAS: 4986-89-4 Molecular Formula: C17H20O8 Molecular Weight (g/mol): 352.34 MDL Number: MFCD00015334 InChI Key: KNSXNCFKSZZHEA-UHFFFAOYSA-N PubChem CID: 62556 IUPAC Name: 3-(prop-2-enoyloxy)-2,2-bis[(prop-2-enoyloxy)methyl]propyl prop-2-enoate SMILES: C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
| PubChem CID | 62556 |
|---|---|
| CAS | 4986-89-4 |
| Molecular Weight (g/mol) | 352.34 |
| MDL Number | MFCD00015334 |
| SMILES | C=CC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C |
| IUPAC Name | 3-(prop-2-enoyloxy)-2,2-bis[(prop-2-enoyloxy)methyl]propyl prop-2-enoate |
| InChI Key | KNSXNCFKSZZHEA-UHFFFAOYSA-N |
| Molecular Formula | C17H20O8 |
Methyl 3-(4-Hydroxyphenyl)propionate 98.0+%, TCI America™
CAS: 5597-50-2 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00071577 InChI Key: XRAMJHXWXCMGJM-UHFFFAOYSA-N PubChem CID: 79706 IUPAC Name: methyl 3-(4-hydroxyphenyl)propanoate SMILES: COC(=O)CCC1=CC=C(C=C1)O
| PubChem CID | 79706 |
|---|---|
| CAS | 5597-50-2 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00071577 |
| SMILES | COC(=O)CCC1=CC=C(C=C1)O |
| IUPAC Name | methyl 3-(4-hydroxyphenyl)propanoate |
| InChI Key | XRAMJHXWXCMGJM-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |