Organic acids and derivatives
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Butyl Butyrate 99.0+%, TCI America™
CAS: 109-21-7 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00009450 InChI Key: XUPYJHCZDLZNFP-UHFFFAOYSA-N Synonym: butyl butyrate,n-butyl butyrate,butanoic acid, butyl ester,n-butyl butanoate,1-butyl butyrate,butyl butylate,butyric acid butyl ester,n-butyl n-butyrate,butyric acid, butyl ester,butyl n-butyrate PubChem CID: 7983 ChEBI: CHEBI:87429 IUPAC Name: butyl butanoate SMILES: CCCCOC(=O)CCC
| PubChem CID | 7983 |
|---|---|
| CAS | 109-21-7 |
| Molecular Weight (g/mol) | 144.21 |
| ChEBI | CHEBI:87429 |
| MDL Number | MFCD00009450 |
| SMILES | CCCCOC(=O)CCC |
| Synonym | butyl butyrate,n-butyl butyrate,butanoic acid, butyl ester,n-butyl butanoate,1-butyl butyrate,butyl butylate,butyric acid butyl ester,n-butyl n-butyrate,butyric acid, butyl ester,butyl n-butyrate |
| IUPAC Name | butyl butanoate |
| InChI Key | XUPYJHCZDLZNFP-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
tert-Butylacetic Acid 98.0+%, TCI America™
CAS: 1070-83-3 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00002715 InChI Key: MLMQPDHYNJCQAO-UHFFFAOYSA-N Synonym: 3,3-dimethylbutyric acid,tert-butylacetic acid,t-butylacetic acid,butanoic acid, 3,3-dimethyl,3,3-dimethyl-butanoic acid,unii-q80k0tzq55,butyric acid, 3,3-dimethyl,3,3-dimethyl-butyric acid,3,3-dimethyl-n-butyric acid,tert-butyric acid PubChem CID: 14057 ChEBI: CHEBI:38647 IUPAC Name: 3,3-dimethylbutanoic acid SMILES: CC(C)(C)CC(=O)O
| PubChem CID | 14057 |
|---|---|
| CAS | 1070-83-3 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:38647 |
| MDL Number | MFCD00002715 |
| SMILES | CC(C)(C)CC(=O)O |
| Synonym | 3,3-dimethylbutyric acid,tert-butylacetic acid,t-butylacetic acid,butanoic acid, 3,3-dimethyl,3,3-dimethyl-butanoic acid,unii-q80k0tzq55,butyric acid, 3,3-dimethyl,3,3-dimethyl-butyric acid,3,3-dimethyl-n-butyric acid,tert-butyric acid |
| IUPAC Name | 3,3-dimethylbutanoic acid |
| InChI Key | MLMQPDHYNJCQAO-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
DL-Glyceric Acid (20% in Water, ca. 2mol/L), TCI America™
CAS: 473-81-4 Molecular Formula: C3H6O4 Molecular Weight (g/mol): 106.077 MDL Number: MFCD00065927 InChI Key: RBNPOMFGQQGHHO-UHFFFAOYSA-N Synonym: DL-2,3-Dihydroxypropionic Acid PubChem CID: 752 ChEBI: CHEBI:33508 IUPAC Name: 2,3-dihydroxypropanoic acid SMILES: C(C(C(=O)O)O)O
| PubChem CID | 752 |
|---|---|
| CAS | 473-81-4 |
| Molecular Weight (g/mol) | 106.077 |
| ChEBI | CHEBI:33508 |
| MDL Number | MFCD00065927 |
| SMILES | C(C(C(=O)O)O)O |
| Synonym | DL-2,3-Dihydroxypropionic Acid |
| IUPAC Name | 2,3-dihydroxypropanoic acid |
| InChI Key | RBNPOMFGQQGHHO-UHFFFAOYSA-N |
| Molecular Formula | C3H6O4 |
N,N-Dimethylacetamide 99.0+%, TCI America™
CAS: 127-19-5 Molecular Formula: C4H9NO Molecular Weight (g/mol): 87.12 MDL Number: MFCD00008686 InChI Key: FXHOOIRPVKKKFG-UHFFFAOYSA-N Synonym: dimethylacetamide,dmac,acetamide, n,n-dimethyl,acetdimethylamide,dimethyl acetamide,n,n-dimethyl acetamide,dimethylamide acetate,n,n-dimethylethanamide,dimethylacetone amide,acetyldimethylamine PubChem CID: 31374 ChEBI: CHEBI:84254 IUPAC Name: N,N-dimethylacetamide SMILES: CN(C)C(C)=O
| PubChem CID | 31374 |
|---|---|
| CAS | 127-19-5 |
| Molecular Weight (g/mol) | 87.12 |
| ChEBI | CHEBI:84254 |
| MDL Number | MFCD00008686 |
| SMILES | CN(C)C(C)=O |
| Synonym | dimethylacetamide,dmac,acetamide, n,n-dimethyl,acetdimethylamide,dimethyl acetamide,n,n-dimethyl acetamide,dimethylamide acetate,n,n-dimethylethanamide,dimethylacetone amide,acetyldimethylamine |
| IUPAC Name | N,N-dimethylacetamide |
| InChI Key | FXHOOIRPVKKKFG-UHFFFAOYSA-N |
| Molecular Formula | C4H9NO |
1,1-Diethylurea 98.0+%, TCI America™
CAS: 634-95-7 Molecular Formula: C5H12N2O Molecular Weight (g/mol): 116.164 MDL Number: MFCD00007960 InChI Key: TUMNHQRORINJKE-UHFFFAOYSA-N Synonym: n,n-diethylurea,asym-diethylurea,urea, n,n-diethyl,diethylurea,urea, 1,1-diethyl,urea, diethyl,urea,n-diethyl,urea,1-diethyl,1,1-diethyl urea,acmc-1b3li PubChem CID: 12472 IUPAC Name: 1,1-diethylurea SMILES: CCN(CC)C(=O)N
| PubChem CID | 12472 |
|---|---|
| CAS | 634-95-7 |
| Molecular Weight (g/mol) | 116.164 |
| MDL Number | MFCD00007960 |
| SMILES | CCN(CC)C(=O)N |
| Synonym | n,n-diethylurea,asym-diethylurea,urea, n,n-diethyl,diethylurea,urea, 1,1-diethyl,urea, diethyl,urea,n-diethyl,urea,1-diethyl,1,1-diethyl urea,acmc-1b3li |
| IUPAC Name | 1,1-diethylurea |
| InChI Key | TUMNHQRORINJKE-UHFFFAOYSA-N |
| Molecular Formula | C5H12N2O |
Tri-O-acetyl-D-galactal 95.0+%, TCI America™
CAS: 4098-06-0 Molecular Formula: C12H16O7 Molecular Weight (g/mol): 272.25 MDL Number: MFCD00064092 InChI Key: LLPWGHLVUPBSLP-UHFFFAOYNA-N Synonym: 3,4,6-tri-o-acetyl-d-galactal,tri-o-acetyl-d-galactal,2r,3r,4r-2-acetoxymethyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,d-arabino-hex-5-enitol, 2,6-anhydro-5-deoxy-, triacetate,1,3,4-tri-o-acetyl-2,6-anhydro-5-deoxyhex-5-enitol,d-galactal triacetate,2,6-anhydro-5-deoxy-d-arabino-hex-5-enitol triacetate,2r,3r,4r-3,4-bis acetyloxy-3,4-dihydro-2h-pyran-2-yl methyl acetate,galactal triacetate,tri-o-acetylgalactal PubChem CID: 640125 IUPAC Name: [3,4-bis(acetyloxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate SMILES: CC(=O)OCC1OC=CC(OC(C)=O)C1OC(C)=O
| PubChem CID | 640125 |
|---|---|
| CAS | 4098-06-0 |
| Molecular Weight (g/mol) | 272.25 |
| MDL Number | MFCD00064092 |
| SMILES | CC(=O)OCC1OC=CC(OC(C)=O)C1OC(C)=O |
| Synonym | 3,4,6-tri-o-acetyl-d-galactal,tri-o-acetyl-d-galactal,2r,3r,4r-2-acetoxymethyl-3,4-dihydro-2h-pyran-3,4-diyl diacetate,d-arabino-hex-5-enitol, 2,6-anhydro-5-deoxy-, triacetate,1,3,4-tri-o-acetyl-2,6-anhydro-5-deoxyhex-5-enitol,d-galactal triacetate,2,6-anhydro-5-deoxy-d-arabino-hex-5-enitol triacetate,2r,3r,4r-3,4-bis acetyloxy-3,4-dihydro-2h-pyran-2-yl methyl acetate,galactal triacetate,tri-o-acetylgalactal |
| IUPAC Name | [3,4-bis(acetyloxy)-3,4-dihydro-2H-pyran-2-yl]methyl acetate |
| InChI Key | LLPWGHLVUPBSLP-UHFFFAOYNA-N |
| Molecular Formula | C12H16O7 |
1,3,5-Cyclohexanetricarboxylic Acid (cis- and trans- mixture) 98.0+%, TCI America™
CAS: 25357-95-3 Molecular Formula: C9H12O6 Molecular Weight (g/mol): 216.189 MDL Number: MFCD00134148 InChI Key: FTHDNRBKSLBLDA-UHFFFAOYSA-N PubChem CID: 349732 IUPAC Name: cyclohexane-1,3,5-tricarboxylic acid SMILES: C1C(CC(CC1C(=O)O)C(=O)O)C(=O)O
| PubChem CID | 349732 |
|---|---|
| CAS | 25357-95-3 |
| Molecular Weight (g/mol) | 216.189 |
| MDL Number | MFCD00134148 |
| SMILES | C1C(CC(CC1C(=O)O)C(=O)O)C(=O)O |
| IUPAC Name | cyclohexane-1,3,5-tricarboxylic acid |
| InChI Key | FTHDNRBKSLBLDA-UHFFFAOYSA-N |
| Molecular Formula | C9H12O6 |
trans-Aconitic Acid 98.0+%, TCI America™
CAS: 4023-65-8 Molecular Formula: C6H6O6 Molecular Weight (g/mol): 174.108 MDL Number: MFCD00002721 InChI Key: GTZCVFVGUGFEME-HNQUOIGGSA-N Synonym: trans-aconitic acid,trans-aconitate,e-1-propene-1,2,3-tricarboxylic acid,aconitic acid,e-prop-1-ene-1,2,3-tricarboxylic acid,aconitic acid, trans,trans aconitic acid,e-aconitic acid,unii-7db37960cw,1e-1-propene-1,2,3-tricarboxylic acid PubChem CID: 444212 ChEBI: CHEBI:32806 IUPAC Name: (E)-prop-1-ene-1,2,3-tricarboxylic acid SMILES: C(C(=CC(=O)O)C(=O)O)C(=O)O
| PubChem CID | 444212 |
|---|---|
| CAS | 4023-65-8 |
| Molecular Weight (g/mol) | 174.108 |
| ChEBI | CHEBI:32806 |
| MDL Number | MFCD00002721 |
| SMILES | C(C(=CC(=O)O)C(=O)O)C(=O)O |
| Synonym | trans-aconitic acid,trans-aconitate,e-1-propene-1,2,3-tricarboxylic acid,aconitic acid,e-prop-1-ene-1,2,3-tricarboxylic acid,aconitic acid, trans,trans aconitic acid,e-aconitic acid,unii-7db37960cw,1e-1-propene-1,2,3-tricarboxylic acid |
| IUPAC Name | (E)-prop-1-ene-1,2,3-tricarboxylic acid |
| InChI Key | GTZCVFVGUGFEME-HNQUOIGGSA-N |
| Molecular Formula | C6H6O6 |
Mono(2-acryloyloxyethyl) Succinate (stabilized with MEHQ) 90.0+%, TCI America™
CAS: 50940-49-3 Molecular Formula: C9H12O6 Molecular Weight (g/mol): 216.189 MDL Number: MFCD00274301 InChI Key: UZDMJPAQQFSMMV-UHFFFAOYSA-N Synonym: Succinic Acid Mono(2-acryloyloxyethyl) Ester, 2-(Acryloyloxy)ethyl Hydrogen Succinate PubChem CID: 175956 IUPAC Name: 4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid SMILES: C=CC(=O)OCCOC(=O)CCC(=O)O
| PubChem CID | 175956 |
|---|---|
| CAS | 50940-49-3 |
| Molecular Weight (g/mol) | 216.189 |
| MDL Number | MFCD00274301 |
| SMILES | C=CC(=O)OCCOC(=O)CCC(=O)O |
| Synonym | Succinic Acid Mono(2-acryloyloxyethyl) Ester, 2-(Acryloyloxy)ethyl Hydrogen Succinate |
| IUPAC Name | 4-oxo-4-(2-prop-2-enoyloxyethoxy)butanoic acid |
| InChI Key | UZDMJPAQQFSMMV-UHFFFAOYSA-N |
| Molecular Formula | C9H12O6 |
2,5-Dihydro-4-methyl-2,5-dioxo-3-furanpropanoic Acid 97.0+%, TCI America™
CAS: 487-66-1 Molecular Formula: C8H8O5 Molecular Weight (g/mol): 184.15 MDL Number: MFCD18252872 InChI Key: FWBJLYXRIRBVQG-UHFFFAOYSA-N Synonym: 2-(2-Carboxyethyl)-3-methylmaleic Anhydride PubChem CID: 11183025 IUPAC Name: 3-(4-methyl-2,5-dioxo-2,5-dihydrofuran-3-yl)propanoic acid SMILES: CC1=C(CCC(O)=O)C(=O)OC1=O
| PubChem CID | 11183025 |
|---|---|
| CAS | 487-66-1 |
| Molecular Weight (g/mol) | 184.15 |
| MDL Number | MFCD18252872 |
| SMILES | CC1=C(CCC(O)=O)C(=O)OC1=O |
| Synonym | 2-(2-Carboxyethyl)-3-methylmaleic Anhydride |
| IUPAC Name | 3-(4-methyl-2,5-dioxo-2,5-dihydrofuran-3-yl)propanoic acid |
| InChI Key | FWBJLYXRIRBVQG-UHFFFAOYSA-N |
| Molecular Formula | C8H8O5 |
Triethyl 1,1,2-Ethanetricarboxylate 96.0+%, TCI America™
CAS: 7459-46-3 Molecular Formula: C11H18O6 Molecular Weight (g/mol): 246.259 MDL Number: MFCD00009154 InChI Key: TVWZLLYAJDSSCJ-UHFFFAOYSA-N Synonym: triethyl 1,1,2-ethanetricarboxylate,1,1,2-ethanetricarboxylic acid, triethyl ester,2-ethoxycarbonyl-succinic acid diethyl ester,triethyl ethane tricarboxylate,1,1,2-triethyl ethane-1,1,2-tricarboxylate,triethyl ethane-1,2,2-tricarboxylate,ethane-1,1,2-tricarboxylic acid triethyl ester,ethane-1,1,2-tricarboxylic acid, triethyl ester,diethyl 2-ethoxycarbonyl butane-1,4-dioate,acmc-209ovd PubChem CID: 81961 IUPAC Name: triethyl ethane-1,1,2-tricarboxylate SMILES: CCOC(=O)CC(C(=O)OCC)C(=O)OCC
| PubChem CID | 81961 |
|---|---|
| CAS | 7459-46-3 |
| Molecular Weight (g/mol) | 246.259 |
| MDL Number | MFCD00009154 |
| SMILES | CCOC(=O)CC(C(=O)OCC)C(=O)OCC |
| Synonym | triethyl 1,1,2-ethanetricarboxylate,1,1,2-ethanetricarboxylic acid, triethyl ester,2-ethoxycarbonyl-succinic acid diethyl ester,triethyl ethane tricarboxylate,1,1,2-triethyl ethane-1,1,2-tricarboxylate,triethyl ethane-1,2,2-tricarboxylate,ethane-1,1,2-tricarboxylic acid triethyl ester,ethane-1,1,2-tricarboxylic acid, triethyl ester,diethyl 2-ethoxycarbonyl butane-1,4-dioate,acmc-209ovd |
| IUPAC Name | triethyl ethane-1,1,2-tricarboxylate |
| InChI Key | TVWZLLYAJDSSCJ-UHFFFAOYSA-N |
| Molecular Formula | C11H18O6 |
Triallyl Citrate 90.0+%, TCI America™
CAS: 6299-73-6 Molecular Formula: C15H20O7 Molecular Weight (g/mol): 312.318 MDL Number: MFCD00059327 InChI Key: PLCFYBDYBCOLSP-UHFFFAOYSA-N Synonym: Citric Acid Triallyl Ester PubChem CID: 80534 IUPAC Name: tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate SMILES: C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O
| PubChem CID | 80534 |
|---|---|
| CAS | 6299-73-6 |
| Molecular Weight (g/mol) | 312.318 |
| MDL Number | MFCD00059327 |
| SMILES | C=CCOC(=O)CC(CC(=O)OCC=C)(C(=O)OCC=C)O |
| Synonym | Citric Acid Triallyl Ester |
| IUPAC Name | tris(prop-2-enyl) 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | PLCFYBDYBCOLSP-UHFFFAOYSA-N |
| Molecular Formula | C15H20O7 |
Trimethyl Phosphonoacetate 96.0+%, TCI America™
CAS: 5927-18-4 Molecular Formula: C5H11O5P Molecular Weight (g/mol): 182.112 MDL Number: MFCD00008452 InChI Key: SIGOIUCRXKUEIG-UHFFFAOYSA-N Synonym: trimethyl phosphonoacetate,methyl 2-dimethoxyphosphoryl acetate,trimethyl phosphonacetate,trimethylacetyl phosphate,acetic acid, dimethoxyphosphinyl-, methyl ester,methyl-dimethoxyphosphoryl acetat,trimethyl phosphoroacetate,phosphonoacetic acid trimethyl ester,methyl dimethylphosphonoacetate,methyl dimethoxyphosphoryl acetate PubChem CID: 80029 IUPAC Name: methyl 2-dimethoxyphosphorylacetate SMILES: COC(=O)CP(=O)(OC)OC
| PubChem CID | 80029 |
|---|---|
| CAS | 5927-18-4 |
| Molecular Weight (g/mol) | 182.112 |
| MDL Number | MFCD00008452 |
| SMILES | COC(=O)CP(=O)(OC)OC |
| Synonym | trimethyl phosphonoacetate,methyl 2-dimethoxyphosphoryl acetate,trimethyl phosphonacetate,trimethylacetyl phosphate,acetic acid, dimethoxyphosphinyl-, methyl ester,methyl-dimethoxyphosphoryl acetat,trimethyl phosphoroacetate,phosphonoacetic acid trimethyl ester,methyl dimethylphosphonoacetate,methyl dimethoxyphosphoryl acetate |
| IUPAC Name | methyl 2-dimethoxyphosphorylacetate |
| InChI Key | SIGOIUCRXKUEIG-UHFFFAOYSA-N |
| Molecular Formula | C5H11O5P |
Toremifene Citrate 98.0+%, TCI America™
CAS: 89778-27-8 Molecular Formula: C32H36ClNO8 Molecular Weight (g/mol): 598.089 MDL Number: MFCD01729016 InChI Key: IWEQQRMGNVVKQW-OQKDUQJOSA-N Synonym: (Z)-4-Chloro-1-(4-dimethylaminoethoxyphenyl)-1,2-diphenyl-1-butene Citrate, (Z)-2-[4-(4-Chloro-1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine Citrate PubChem CID: 3005572 IUPAC Name: 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
| PubChem CID | 3005572 |
|---|---|
| CAS | 89778-27-8 |
| Molecular Weight (g/mol) | 598.089 |
| MDL Number | MFCD01729016 |
| SMILES | CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| Synonym | (Z)-4-Chloro-1-(4-dimethylaminoethoxyphenyl)-1,2-diphenyl-1-butene Citrate, (Z)-2-[4-(4-Chloro-1,2-diphenyl-1-butenyl)phenoxy]-N,N-dimethylethanamine Citrate |
| IUPAC Name | 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI Key | IWEQQRMGNVVKQW-OQKDUQJOSA-N |
| Molecular Formula | C32H36ClNO8 |