Organic acids and derivatives
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1,4-Naphthalenebis(trifluoromethanesulfonate) 98.0+%, TCI America™
CAS: 152873-78-4 Molecular Formula: C12H6F6O6S2 Molecular Weight (g/mol): 424.284 InChI Key: WUQONKZHJZYVAX-UHFFFAOYSA-N Synonym: 1,4-Naphthaleneditriflate PubChem CID: 10526326 IUPAC Name: [4-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate SMILES: C1=CC=C2C(=C1)C(=CC=C2OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
| PubChem CID | 10526326 |
|---|---|
| CAS | 152873-78-4 |
| Molecular Weight (g/mol) | 424.284 |
| SMILES | C1=CC=C2C(=C1)C(=CC=C2OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F |
| Synonym | 1,4-Naphthaleneditriflate |
| IUPAC Name | [4-(trifluoromethylsulfonyloxy)naphthalen-1-yl] trifluoromethanesulfonate |
| InChI Key | WUQONKZHJZYVAX-UHFFFAOYSA-N |
| Molecular Formula | C12H6F6O6S2 |
Ethyl Diacetoacetate 96.0+%, TCI America™
CAS: 603-69-0 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 MDL Number: MFCD00009864 InChI Key: YMCDYRGMTRCAPZ-UHFFFAOYSA-N PubChem CID: 79063 IUPAC Name: ethyl 2-acetyl-3-oxobutanoate SMILES: CCOC(=O)C(C(=O)C)C(=O)C
| PubChem CID | 79063 |
|---|---|
| CAS | 603-69-0 |
| Molecular Weight (g/mol) | 172.18 |
| MDL Number | MFCD00009864 |
| SMILES | CCOC(=O)C(C(=O)C)C(=O)C |
| IUPAC Name | ethyl 2-acetyl-3-oxobutanoate |
| InChI Key | YMCDYRGMTRCAPZ-UHFFFAOYSA-N |
| Molecular Formula | C8H12O4 |
O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium Hexafluorophosphate 98.0+%, TCI America™
CAS: 105379-24-6 Molecular Formula: C15H20F6N5OP Molecular Weight (g/mol): 431.323 MDL Number: MFCD00191770 InChI Key: XKTRAGMCMJYRRN-UHFFFAOYSA-N Synonym: hbpyu,benzotriazol-1-yloxy dipyrrolidinocarbenium hexafluorophosphate,1h-benzo d 1,2,3 triazol-1-yl di pyrrolidin-1-yl methylene oxonium hexafluorophosphate v,o-benzotriazol-1-yl-n,n,n',n'-bis tetramethylene uronium hexafluorophosphate,hbpyu, o-benzotriazol-1-yl-n,n,n',n'-bis tetramethylene uronium hexafluorophosphate,1-pyrrolidin-1-ium-1-ylidene pyrrolidin-1-yl methoxy benzotriazole hexafluorophosphate,1-1,2,3-benzotriazol-1-yloxy pyrrolidin-1-yl methylidene-1??-pyrrolidin-1-ylium hexafluorophosphate,benzotriazol-1-yloxy dipyrrolidinocarbenium hexaf,1,2,3-benzotriazol-1-yloxy bis pyrrolidin-1-yl methylium hexafluorophosphate,1-1-pyrrolidin-1-iumylidene 1-pyrrolidinyl methoxy benzotriazole hexafluorophosphate PubChem CID: 13685355 IUPAC Name: 1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]benzotriazole;hexafluorophosphate SMILES: C1CCN(C1)C(=[N+]2CCCC2)ON3C4=CC=CC=C4N=N3.F[P-](F)(F)(F)(F)F
| PubChem CID | 13685355 |
|---|---|
| CAS | 105379-24-6 |
| Molecular Weight (g/mol) | 431.323 |
| MDL Number | MFCD00191770 |
| SMILES | C1CCN(C1)C(=[N+]2CCCC2)ON3C4=CC=CC=C4N=N3.F[P-](F)(F)(F)(F)F |
| Synonym | hbpyu,benzotriazol-1-yloxy dipyrrolidinocarbenium hexafluorophosphate,1h-benzo d 1,2,3 triazol-1-yl di pyrrolidin-1-yl methylene oxonium hexafluorophosphate v,o-benzotriazol-1-yl-n,n,n',n'-bis tetramethylene uronium hexafluorophosphate,hbpyu, o-benzotriazol-1-yl-n,n,n',n'-bis tetramethylene uronium hexafluorophosphate,1-pyrrolidin-1-ium-1-ylidene pyrrolidin-1-yl methoxy benzotriazole hexafluorophosphate,1-1,2,3-benzotriazol-1-yloxy pyrrolidin-1-yl methylidene-1??-pyrrolidin-1-ylium hexafluorophosphate,benzotriazol-1-yloxy dipyrrolidinocarbenium hexaf,1,2,3-benzotriazol-1-yloxy bis pyrrolidin-1-yl methylium hexafluorophosphate,1-1-pyrrolidin-1-iumylidene 1-pyrrolidinyl methoxy benzotriazole hexafluorophosphate |
| IUPAC Name | 1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]benzotriazole;hexafluorophosphate |
| InChI Key | XKTRAGMCMJYRRN-UHFFFAOYSA-N |
| Molecular Formula | C15H20F6N5OP |
2,2,3,3-Tetramethylcyclopropanecarboxylic Acid 98.0+%, TCI America™
CAS: 15641-58-4 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.198 MDL Number: MFCD00011538 InChI Key: SFHVXKNMCGSLAR-UHFFFAOYSA-N Synonym: 2,2,3,3-tetramethylcyclopropanecarboxylic acid,tetramethylcyclopropane-1-carboxylic acid,cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl,2,2,3,3-tetramethylcyclopropanecarboxylicacid,acmc-1c48r,tetramethylcyclopropanecarboxylicacid,3-carboxy-1,1,2,2-tetramethylcyclopropane,2,2,3,3-tetramethyl cyclopropanecarboxylic acid,2,2,3,3-tetramethyl-cyclopropanecarboxylic acid,2,2,3,3-tetramethylcyclopropane carboxylic acid PubChem CID: 152115 ChEBI: CHEBI:39355 IUPAC Name: 2,2,3,3-tetramethylcyclopropane-1-carboxylic acid SMILES: CC1(C(C1(C)C)C(=O)O)C
| PubChem CID | 152115 |
|---|---|
| CAS | 15641-58-4 |
| Molecular Weight (g/mol) | 142.198 |
| ChEBI | CHEBI:39355 |
| MDL Number | MFCD00011538 |
| SMILES | CC1(C(C1(C)C)C(=O)O)C |
| Synonym | 2,2,3,3-tetramethylcyclopropanecarboxylic acid,tetramethylcyclopropane-1-carboxylic acid,cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl,2,2,3,3-tetramethylcyclopropanecarboxylicacid,acmc-1c48r,tetramethylcyclopropanecarboxylicacid,3-carboxy-1,1,2,2-tetramethylcyclopropane,2,2,3,3-tetramethyl cyclopropanecarboxylic acid,2,2,3,3-tetramethyl-cyclopropanecarboxylic acid,2,2,3,3-tetramethylcyclopropane carboxylic acid |
| IUPAC Name | 2,2,3,3-tetramethylcyclopropane-1-carboxylic acid |
| InChI Key | SFHVXKNMCGSLAR-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
Methyl Formate 99.5+%, TCI America™
CAS: 107-31-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 60.05 MDL Number: MFCD00003291 InChI Key: TZIHFWKZFHZASV-UHFFFAOYSA-N Synonym: formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 PubChem CID: 7865 ChEBI: CHEBI:77699 IUPAC Name: methyl formate SMILES: COC=O
| PubChem CID | 7865 |
|---|---|
| CAS | 107-31-3 |
| Molecular Weight (g/mol) | 60.05 |
| ChEBI | CHEBI:77699 |
| MDL Number | MFCD00003291 |
| SMILES | COC=O |
| Synonym | formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 |
| IUPAC Name | methyl formate |
| InChI Key | TZIHFWKZFHZASV-UHFFFAOYSA-N |
| Molecular Formula | C2H4O2 |
1,4-Butanediol Dimethanesulfonate 97.0+%, TCI America™
CAS: 55-98-1 Molecular Formula: C6H14O6S2 Molecular Weight (g/mol): 246.292 MDL Number: MFCD00007562 InChI Key: COVZYZSDYWQREU-UHFFFAOYSA-N Synonym: busulfan,myleran,busulphan,sulphabutin,leucosulfan,myelosan,busulfex,citosulfan,mielucin,misulban PubChem CID: 2478 ChEBI: CHEBI:28901 IUPAC Name: 4-methylsulfonyloxybutyl methanesulfonate SMILES: CS(=O)(=O)OCCCCOS(=O)(=O)C
| PubChem CID | 2478 |
|---|---|
| CAS | 55-98-1 |
| Molecular Weight (g/mol) | 246.292 |
| ChEBI | CHEBI:28901 |
| MDL Number | MFCD00007562 |
| SMILES | CS(=O)(=O)OCCCCOS(=O)(=O)C |
| Synonym | busulfan,myleran,busulphan,sulphabutin,leucosulfan,myelosan,busulfex,citosulfan,mielucin,misulban |
| IUPAC Name | 4-methylsulfonyloxybutyl methanesulfonate |
| InChI Key | COVZYZSDYWQREU-UHFFFAOYSA-N |
| Molecular Formula | C6H14O6S2 |
3-Isoamyl-6-methyl-2-heptyl Myristate 95.0+%, TCI America™
CAS: 88332-30-3 Molecular Formula: C27H54O2 Molecular Weight (g/mol): 410.727 InChI Key: JHAGSLRTFDBCLA-UHFFFAOYSA-N Synonym: 3-Isoamyl-6-methyl-2-heptyl Tetradecanoate, 2-Isopentyl-1,5-dimethylhexyl Tetradecanoate, Myristic Acid 3-Isoamyl-6-methyl-2-heptyl Ester, Tetradecanoic Acid 3-Isoamyl-6-methyl-2-heptyl Ester PubChem CID: 44629799 IUPAC Name: [6-methyl-3-(3-methylbutyl)heptan-2-yl] tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)OC(C)C(CCC(C)C)CCC(C)C
| PubChem CID | 44629799 |
|---|---|
| CAS | 88332-30-3 |
| Molecular Weight (g/mol) | 410.727 |
| SMILES | CCCCCCCCCCCCCC(=O)OC(C)C(CCC(C)C)CCC(C)C |
| Synonym | 3-Isoamyl-6-methyl-2-heptyl Tetradecanoate, 2-Isopentyl-1,5-dimethylhexyl Tetradecanoate, Myristic Acid 3-Isoamyl-6-methyl-2-heptyl Ester, Tetradecanoic Acid 3-Isoamyl-6-methyl-2-heptyl Ester |
| IUPAC Name | [6-methyl-3-(3-methylbutyl)heptan-2-yl] tetradecanoate |
| InChI Key | JHAGSLRTFDBCLA-UHFFFAOYSA-N |
| Molecular Formula | C27H54O2 |
Methyl Glycolate 98.0+%, TCI America™
CAS: 96-35-5 Molecular Formula: C3H6O3 Molecular Weight (g/mol): 90.078 MDL Number: MFCD00004667 InChI Key: GSJFXBNYJCXDGI-UHFFFAOYSA-N Synonym: methyl glycolate,methyl hydroxyacetate,acetic acid, hydroxy-, methyl ester,glycolic acid, methyl ester,acetic acid, 2-hydroxy-, methyl ester,glycolic acid methyl ester,unii-7g7r729ej0,hydroxyacetic acid methyl ester,glycolic acid methyl,methyl2-hydroxyethanoate PubChem CID: 66774 IUPAC Name: methyl 2-hydroxyacetate SMILES: COC(=O)CO
| PubChem CID | 66774 |
|---|---|
| CAS | 96-35-5 |
| Molecular Weight (g/mol) | 90.078 |
| MDL Number | MFCD00004667 |
| SMILES | COC(=O)CO |
| Synonym | methyl glycolate,methyl hydroxyacetate,acetic acid, hydroxy-, methyl ester,glycolic acid, methyl ester,acetic acid, 2-hydroxy-, methyl ester,glycolic acid methyl ester,unii-7g7r729ej0,hydroxyacetic acid methyl ester,glycolic acid methyl,methyl2-hydroxyethanoate |
| IUPAC Name | methyl 2-hydroxyacetate |
| InChI Key | GSJFXBNYJCXDGI-UHFFFAOYSA-N |
| Molecular Formula | C3H6O3 |
Ethyl Myristate 98.0+%, TCI America™
CAS: 124-06-1 Molecular Formula: C16H32O2 Molecular Weight (g/mol): 256.43 MDL Number: MFCD00008984 InChI Key: MMKRHZKQPFCLLS-UHFFFAOYSA-N Synonym: ethyl myristate,tetradecanoic acid, ethyl ester,myristic acid ethyl ester,myristic acid, ethyl ester,ethylmyristate,ethyl n-tetradecanoate,ethyl myristate natural,fema no. 2445,tetradecanoic acid ethyl ester,ethyl ester tetradecanoic acid PubChem CID: 31283 ChEBI: CHEBI:84849 IUPAC Name: ethyl tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)OCC
| PubChem CID | 31283 |
|---|---|
| CAS | 124-06-1 |
| Molecular Weight (g/mol) | 256.43 |
| ChEBI | CHEBI:84849 |
| MDL Number | MFCD00008984 |
| SMILES | CCCCCCCCCCCCCC(=O)OCC |
| Synonym | ethyl myristate,tetradecanoic acid, ethyl ester,myristic acid ethyl ester,myristic acid, ethyl ester,ethylmyristate,ethyl n-tetradecanoate,ethyl myristate natural,fema no. 2445,tetradecanoic acid ethyl ester,ethyl ester tetradecanoic acid |
| IUPAC Name | ethyl tetradecanoate |
| InChI Key | MMKRHZKQPFCLLS-UHFFFAOYSA-N |
| Molecular Formula | C16H32O2 |
4-Benzyl-2-hydroxymorpholin-3-one 98.0+%, TCI America™
CAS: 287930-73-8 Molecular Formula: C11H13NO3 Molecular Weight (g/mol): 207.229 MDL Number: MFCD07776435 InChI Key: CAGSEMPCDRYWFN-UHFFFAOYSA-N PubChem CID: 9942497 IUPAC Name: 4-benzyl-2-hydroxymorpholin-3-one SMILES: C1COC(C(=O)N1CC2=CC=CC=C2)O
| PubChem CID | 9942497 |
|---|---|
| CAS | 287930-73-8 |
| Molecular Weight (g/mol) | 207.229 |
| MDL Number | MFCD07776435 |
| SMILES | C1COC(C(=O)N1CC2=CC=CC=C2)O |
| IUPAC Name | 4-benzyl-2-hydroxymorpholin-3-one |
| InChI Key | CAGSEMPCDRYWFN-UHFFFAOYSA-N |
| Molecular Formula | C11H13NO3 |
2-(Methylamino)isobutyric Acid Hydrate 98.0+%, TCI America™
CAS: 2566-34-9 Molecular Formula: C5H11NO2 Molecular Weight (g/mol): 117.148 MDL Number: MFCD00004191 InChI Key: DLAMVQGYEVKIRE-UHFFFAOYSA-N Synonym: 2-methylamino isobutyric acid,n,2-dimethylalanine,2-methyl-2-methylamino propanoic acid,alpha-methylamino isobutyric acid,meaib,alanine, n,2-dimethyl,n-methyl-a-aminoisobutyric acid,2-methylamino-2-methylpropionic acid,alpha-methylamino-isobutyric acid,2,n-dimethylalanine PubChem CID: 75725 IUPAC Name: 2-methyl-2-(methylamino)propanoic acid SMILES: CC(C)(C(=O)O)NC
| PubChem CID | 75725 |
|---|---|
| CAS | 2566-34-9 |
| Molecular Weight (g/mol) | 117.148 |
| MDL Number | MFCD00004191 |
| SMILES | CC(C)(C(=O)O)NC |
| Synonym | 2-methylamino isobutyric acid,n,2-dimethylalanine,2-methyl-2-methylamino propanoic acid,alpha-methylamino isobutyric acid,meaib,alanine, n,2-dimethyl,n-methyl-a-aminoisobutyric acid,2-methylamino-2-methylpropionic acid,alpha-methylamino-isobutyric acid,2,n-dimethylalanine |
| IUPAC Name | 2-methyl-2-(methylamino)propanoic acid |
| InChI Key | DLAMVQGYEVKIRE-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO2 |
Ethyl 2-Pyridylacetate 98.0+%, TCI America™
CAS: 2739-98-2 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00006359 InChI Key: IUDKTVXSXWAKJO-UHFFFAOYSA-N Synonym: ethyl 2-pyridylacetate,ethyl 2-pyridin-2-yl acetate,ethyl 2-pyridinylacetate,ethyl pyridine-2-acetate,2-pyridineacetic acid ethyl ester,ethyl 2-pyridineacetate,ethyl 2-2-pyridyl acetate,2-pyridylacetic acid ethyl ester,ethyl pyridin-2-ylacetate,2-pyridineacetic acid, ethyl ester PubChem CID: 75960 IUPAC Name: ethyl 2-pyridin-2-ylacetate SMILES: CCOC(=O)CC1=CC=CC=N1
| PubChem CID | 75960 |
|---|---|
| CAS | 2739-98-2 |
| Molecular Weight (g/mol) | 165.192 |
| MDL Number | MFCD00006359 |
| SMILES | CCOC(=O)CC1=CC=CC=N1 |
| Synonym | ethyl 2-pyridylacetate,ethyl 2-pyridin-2-yl acetate,ethyl 2-pyridinylacetate,ethyl pyridine-2-acetate,2-pyridineacetic acid ethyl ester,ethyl 2-pyridineacetate,ethyl 2-2-pyridyl acetate,2-pyridylacetic acid ethyl ester,ethyl pyridin-2-ylacetate,2-pyridineacetic acid, ethyl ester |
| IUPAC Name | ethyl 2-pyridin-2-ylacetate |
| InChI Key | IUDKTVXSXWAKJO-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
Isobutyl Tiglate (stabilized with HQ) 96.0+%, TCI America™
CAS: 61692-84-0 Molecular Formula: C9H16O2 Molecular Weight (g/mol): 156.23 MDL Number: MFCD00016629 InChI Key: XDEGQMQKHFPBEW-VMPITWQZSA-N Synonym: Tiglic Acid Isobutyl Ester PubChem CID: 5367806 IUPAC Name: 2-methylpropyl (2E)-2-methylbut-2-enoate SMILES: C\C=C(/C)C(=O)OCC(C)C
| PubChem CID | 5367806 |
|---|---|
| CAS | 61692-84-0 |
| Molecular Weight (g/mol) | 156.23 |
| MDL Number | MFCD00016629 |
| SMILES | C\C=C(/C)C(=O)OCC(C)C |
| Synonym | Tiglic Acid Isobutyl Ester |
| IUPAC Name | 2-methylpropyl (2E)-2-methylbut-2-enoate |
| InChI Key | XDEGQMQKHFPBEW-VMPITWQZSA-N |
| Molecular Formula | C9H16O2 |