Carboxylic acids and derivatives
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Dimethyl Decahydro-1,4-naphthalenedicarboxylate (mixture of isomers) 97.0+%, TCI America™
CAS: 3068-03-9 Molecular Formula: C14H22O4 Molecular Weight (g/mol): 254.33 InChI Key: ZBJLWSVNFCKFTB-UHFFFAOYNA-N Synonym: Decahydro-1,4-naphthalenedicarboxylic Acid Dimethyl Ester PubChem CID: 91658998 IUPAC Name: dimethyl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylate SMILES: COC(=O)C1CCC(C2C1CCCC2)C(=O)OC
| PubChem CID | 91658998 |
|---|---|
| CAS | 3068-03-9 |
| Molecular Weight (g/mol) | 254.33 |
| SMILES | COC(=O)C1CCC(C2C1CCCC2)C(=O)OC |
| Synonym | Decahydro-1,4-naphthalenedicarboxylic Acid Dimethyl Ester |
| IUPAC Name | dimethyl 1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylate |
| InChI Key | ZBJLWSVNFCKFTB-UHFFFAOYNA-N |
| Molecular Formula | C14H22O4 |
N,N-Diethylformamide 99.0+%, TCI America™
CAS: 617-84-5 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.15 MDL Number: MFCD00003287 InChI Key: SUAKHGWARZSWIH-UHFFFAOYSA-N Synonym: diethylformamide,formamide, n,n-diethyl,n-formyldiethylamine,diethyl formamide,formyldiethylamine,diethylamid kyseliny mravenci,n,n-diethylcarboxamide,diethylamid kyseliny mravenci czech,diethyl-formamide,formamide, diethyl PubChem CID: 12051 IUPAC Name: N,N-diethylformamide SMILES: CCN(CC)C=O
| PubChem CID | 12051 |
|---|---|
| CAS | 617-84-5 |
| Molecular Weight (g/mol) | 101.15 |
| MDL Number | MFCD00003287 |
| SMILES | CCN(CC)C=O |
| Synonym | diethylformamide,formamide, n,n-diethyl,n-formyldiethylamine,diethyl formamide,formyldiethylamine,diethylamid kyseliny mravenci,n,n-diethylcarboxamide,diethylamid kyseliny mravenci czech,diethyl-formamide,formamide, diethyl |
| IUPAC Name | N,N-diethylformamide |
| InChI Key | SUAKHGWARZSWIH-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO |
Diisopropyl Fumarate 98.0+%, TCI America™
CAS: 7283-70-7 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.23 MDL Number: MFCD00545172 InChI Key: FNMTVMWFISHPEV-AATRIKPKSA-N Synonym: Fumaric Acid Diisopropyl Ester PubChem CID: 5357078 IUPAC Name: 1,4-bis(propan-2-yl) (2E)-but-2-enedioate SMILES: CC(C)OC(=O)\C=C\C(=O)OC(C)C
| PubChem CID | 5357078 |
|---|---|
| CAS | 7283-70-7 |
| Molecular Weight (g/mol) | 200.23 |
| MDL Number | MFCD00545172 |
| SMILES | CC(C)OC(=O)\C=C\C(=O)OC(C)C |
| Synonym | Fumaric Acid Diisopropyl Ester |
| IUPAC Name | 1,4-bis(propan-2-yl) (2E)-but-2-enedioate |
| InChI Key | FNMTVMWFISHPEV-AATRIKPKSA-N |
| Molecular Formula | C10H16O4 |
N-(9-Dimethylamino-1-oxononyl)-N-hydroxy-beta-alanine Methyl Ester 97.0+%, TCI America™
CAS: 1239468-48-4 Molecular Formula: C15H30N2O4 Molecular Weight (g/mol): 302.42 MDL Number: MFCD22375684 InChI Key: KDYRPQNFCURCQB-UHFFFAOYSA-N Synonym: NCDM-32b PubChem CID: 46901417 IUPAC Name: methyl 3-[9-(dimethylamino)-N-hydroxynonanamido]propanoate SMILES: COC(=O)CCN(O)C(=O)CCCCCCCCN(C)C
| PubChem CID | 46901417 |
|---|---|
| CAS | 1239468-48-4 |
| Molecular Weight (g/mol) | 302.42 |
| MDL Number | MFCD22375684 |
| SMILES | COC(=O)CCN(O)C(=O)CCCCCCCCN(C)C |
| Synonym | NCDM-32b |
| IUPAC Name | methyl 3-[9-(dimethylamino)-N-hydroxynonanamido]propanoate |
| InChI Key | KDYRPQNFCURCQB-UHFFFAOYSA-N |
| Molecular Formula | C15H30N2O4 |
1,3-Dimethyl-1H-pyrazole-5-carboxylic Acid 98.0+%, TCI America™
CAS: 5744-56-9 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00159636 InChI Key: QRWZFUBHOQWUGH-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl PubChem CID: 587721 IUPAC Name: 1,3-dimethyl-1H-pyrazole-5-carboxylic acid SMILES: CN1N=C(C)C=C1C(O)=O
| PubChem CID | 587721 |
|---|---|
| CAS | 5744-56-9 |
| Molecular Weight (g/mol) | 140.14 |
| MDL Number | MFCD00159636 |
| SMILES | CN1N=C(C)C=C1C(O)=O |
| Synonym | 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl |
| IUPAC Name | 1,3-dimethyl-1H-pyrazole-5-carboxylic acid |
| InChI Key | QRWZFUBHOQWUGH-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
N,N-Di-n-octyl-3-oxapentanedioic Acid Monoamide 98.0+%, TCI America™
CAS: 135447-09-5 Molecular Formula: C20H39NO4 Molecular Weight (g/mol): 357.535 InChI Key: KOHUSHSNNOEPFN-UHFFFAOYSA-N Synonym: 2-[2-(Di-n-octylamino)-2-oxoethoxy]acetic Acid, DODGAA PubChem CID: 4534750 IUPAC Name: 2-[2-(dioctylamino)-2-oxoethoxy]acetic acid SMILES: CCCCCCCCN(CCCCCCCC)C(=O)COCC(=O)O
| PubChem CID | 4534750 |
|---|---|
| CAS | 135447-09-5 |
| Molecular Weight (g/mol) | 357.535 |
| SMILES | CCCCCCCCN(CCCCCCCC)C(=O)COCC(=O)O |
| Synonym | 2-[2-(Di-n-octylamino)-2-oxoethoxy]acetic Acid, DODGAA |
| IUPAC Name | 2-[2-(dioctylamino)-2-oxoethoxy]acetic acid |
| InChI Key | KOHUSHSNNOEPFN-UHFFFAOYSA-N |
| Molecular Formula | C20H39NO4 |
Dimethyl trans-1,4-Cyclohexanedicarboxylate 96.0+%, TCI America™
CAS: 3399-22-2 Molecular Formula: C10H16O4 Molecular Weight (g/mol): 200.23 MDL Number: MFCD00063917,MFCD00001460,MFCD00216473 InChI Key: LNGAGQAGYITKCW-UHFFFAOYSA-N Synonym: dimethyl 1,4-cyclohexanedicarboxylate,dimethyl trans-1,4-cyclohexanedicarboxylate,1r,4r-dimethyl cyclohexane-1,4-dicarboxylate,cis-dimethyl cyclohexane-1,4-dicarboxylate,dimethyl trans-cyclohexane-1,4-dicarboxylate,1,4-cyclohexanedicarboxylic acid, dimethyl ester,dimethyl hexahydroterephthalate,trans-dimethyl cyclohexane-1,4-dicarboxylate,1,4-cyclohexanedicarboxylic acid, dimethyl ester, trans,unii-ys87mds0zv PubChem CID: 7198 IUPAC Name: 1,4-dimethyl cyclohexane-1,4-dicarboxylate SMILES: COC(=O)C1CCC(CC1)C(=O)OC
| PubChem CID | 7198 |
|---|---|
| CAS | 3399-22-2 |
| Molecular Weight (g/mol) | 200.23 |
| MDL Number | MFCD00063917,MFCD00001460,MFCD00216473 |
| SMILES | COC(=O)C1CCC(CC1)C(=O)OC |
| Synonym | dimethyl 1,4-cyclohexanedicarboxylate,dimethyl trans-1,4-cyclohexanedicarboxylate,1r,4r-dimethyl cyclohexane-1,4-dicarboxylate,cis-dimethyl cyclohexane-1,4-dicarboxylate,dimethyl trans-cyclohexane-1,4-dicarboxylate,1,4-cyclohexanedicarboxylic acid, dimethyl ester,dimethyl hexahydroterephthalate,trans-dimethyl cyclohexane-1,4-dicarboxylate,1,4-cyclohexanedicarboxylic acid, dimethyl ester, trans,unii-ys87mds0zv |
| IUPAC Name | 1,4-dimethyl cyclohexane-1,4-dicarboxylate |
| InChI Key | LNGAGQAGYITKCW-UHFFFAOYSA-N |
| Molecular Formula | C10H16O4 |
| 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 |
1-Acetylisatin 98.0+%, TCI America™
CAS: 574-17-4 Molecular Formula: C10H7NO3 Molecular Weight (g/mol): 189.17 MDL Number: MFCD00158542 InChI Key: LPGDEHBASRKTDG-UHFFFAOYSA-N Synonym: 1-acetylisatin,n-acetylisatin,1-acetyl-1h-indole-2,3-dione,acetylisatin,1-acetylindoline-2,3-dione,1-acetyl-indole-2,3-dione,1h-indole-2,3-dione, 1-acetyl,indole-2,3-dione, 1-acetyl,1-acetyl-2,3-dihydro-1h-indole-2,3-dione,n-acetyl-isatin PubChem CID: 11321 ChEBI: CHEBI:16050 IUPAC Name: 1-acetyl-2,3-dihydro-1H-indole-2,3-dione SMILES: CC(=O)N1C(=O)C(=O)C2=CC=CC=C12
| PubChem CID | 11321 |
|---|---|
| CAS | 574-17-4 |
| Molecular Weight (g/mol) | 189.17 |
| ChEBI | CHEBI:16050 |
| MDL Number | MFCD00158542 |
| SMILES | CC(=O)N1C(=O)C(=O)C2=CC=CC=C12 |
| Synonym | 1-acetylisatin,n-acetylisatin,1-acetyl-1h-indole-2,3-dione,acetylisatin,1-acetylindoline-2,3-dione,1-acetyl-indole-2,3-dione,1h-indole-2,3-dione, 1-acetyl,indole-2,3-dione, 1-acetyl,1-acetyl-2,3-dihydro-1h-indole-2,3-dione,n-acetyl-isatin |
| IUPAC Name | 1-acetyl-2,3-dihydro-1H-indole-2,3-dione |
| InChI Key | LPGDEHBASRKTDG-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO3 |
Ethyl Propionate 99.0+%, TCI America™
CAS: 105-37-3 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00009308 InChI Key: FKRCODPIKNYEAC-UHFFFAOYSA-N Synonym: ethyl propionate,propanoic acid, ethyl ester,propionic ester,propionic ether,propionic acid, ethyl ester,ethylpropionate,propionate d'ethyle,propanoic acid ethyl ester,ethyl n-propionate,propionic acid ethyl ester PubChem CID: 7749 ChEBI: CHEBI:41330 IUPAC Name: ethyl propanoate SMILES: CCC(=O)OCC
| PubChem CID | 7749 |
|---|---|
| CAS | 105-37-3 |
| Molecular Weight (g/mol) | 102.133 |
| ChEBI | CHEBI:41330 |
| MDL Number | MFCD00009308 |
| SMILES | CCC(=O)OCC |
| Synonym | ethyl propionate,propanoic acid, ethyl ester,propionic ester,propionic ether,propionic acid, ethyl ester,ethylpropionate,propionate d'ethyle,propanoic acid ethyl ester,ethyl n-propionate,propionic acid ethyl ester |
| IUPAC Name | ethyl propanoate |
| InChI Key | FKRCODPIKNYEAC-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
Butyl Stearate 97.0+%, TCI America™
CAS: 123-95-5 Molecular Formula: C22H44O2 Molecular Weight (g/mol): 340.59 MDL Number: MFCD00026669 InChI Key: ULBTUVJTXULMLP-UHFFFAOYSA-N Synonym: butyl stearate,n-butyl stearate,octadecanoic acid, butyl ester,kesscoflex bs,n-butyl octadecanoate,stearic acid, butyl ester,butyl octadecylate,kessco bsc,stearic acid n-butyl ester,polycizer 332 PubChem CID: 31278 ChEBI: CHEBI:85983 IUPAC Name: butyl octadecanoate SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCC
| PubChem CID | 31278 |
|---|---|
| CAS | 123-95-5 |
| Molecular Weight (g/mol) | 340.59 |
| ChEBI | CHEBI:85983 |
| MDL Number | MFCD00026669 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCCCC |
| Synonym | butyl stearate,n-butyl stearate,octadecanoic acid, butyl ester,kesscoflex bs,n-butyl octadecanoate,stearic acid, butyl ester,butyl octadecylate,kessco bsc,stearic acid n-butyl ester,polycizer 332 |
| IUPAC Name | butyl octadecanoate |
| InChI Key | ULBTUVJTXULMLP-UHFFFAOYSA-N |
| Molecular Formula | C22H44O2 |
Ethyl Pyruvate 97.0+%, TCI America™
CAS: 617-35-6 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.116 MDL Number: MFCD00009123 InChI Key: XXRCUYVCPSWGCC-UHFFFAOYSA-N Synonym: ethyl pyruvate,ethyl 2-oxopropionate,pyruvic acid, ethyl ester,propanoic acid, 2-oxo-, ethyl ester,pyruvic acid ethyl ester,ethyl pyroracemate,ethyl acetylformate,2-oxo-propionic acid ethyl ester,ethyl pyruvate natural,ethyl alpha-ketopropionate PubChem CID: 12041 IUPAC Name: ethyl 2-oxopropanoate SMILES: CCOC(=O)C(=O)C
| PubChem CID | 12041 |
|---|---|
| CAS | 617-35-6 |
| Molecular Weight (g/mol) | 116.116 |
| MDL Number | MFCD00009123 |
| SMILES | CCOC(=O)C(=O)C |
| Synonym | ethyl pyruvate,ethyl 2-oxopropionate,pyruvic acid, ethyl ester,propanoic acid, 2-oxo-, ethyl ester,pyruvic acid ethyl ester,ethyl pyroracemate,ethyl acetylformate,2-oxo-propionic acid ethyl ester,ethyl pyruvate natural,ethyl alpha-ketopropionate |
| IUPAC Name | ethyl 2-oxopropanoate |
| InChI Key | XXRCUYVCPSWGCC-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3 |
4-tert-Butylcyclohexyl Acetate (cis- and trans- mixture) 96.0+%, TCI America™
CAS: 32210-23-4 Molecular Formula: C12H22O2 Molecular Weight (g/mol): 198.31 MDL Number: MFCD00019354 InChI Key: MBZRJSQZCBXRGK-UHFFFAOYSA-N Synonym: Acetic Acid 4-tert-Butylcyclohexyl Ester PubChem CID: 36081 IUPAC Name: 4-tert-butylcyclohexyl acetate SMILES: CC(=O)OC1CCC(CC1)C(C)(C)C
| PubChem CID | 36081 |
|---|---|
| CAS | 32210-23-4 |
| Molecular Weight (g/mol) | 198.31 |
| MDL Number | MFCD00019354 |
| SMILES | CC(=O)OC1CCC(CC1)C(C)(C)C |
| Synonym | Acetic Acid 4-tert-Butylcyclohexyl Ester |
| IUPAC Name | 4-tert-butylcyclohexyl acetate |
| InChI Key | MBZRJSQZCBXRGK-UHFFFAOYSA-N |
| Molecular Formula | C12H22O2 |
4-Pentenyl Acetate 98.0+%, TCI America™
CAS: 1576-85-8 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00008723 InChI Key: LVHDNIMNOMRZMF-UHFFFAOYSA-N Synonym: 4-pentenyl acetate,4-penten-1-yl acetate,5-acetoxy-1-pentene,unii-v4sif0mabv,pent-4-en-1-yl acetate,pent-4-ene-1-yl acetate,ch3c o o ch2 3ch=ch2,v4sif0mabv,4-penten-1-ol acetate,4-pentenyl acetate # PubChem CID: 74096 ChEBI: CHEBI:87515 IUPAC Name: pent-4-en-1-yl acetate SMILES: CC(=O)OCCCC=C
| PubChem CID | 74096 |
|---|---|
| CAS | 1576-85-8 |
| Molecular Weight (g/mol) | 128.17 |
| ChEBI | CHEBI:87515 |
| MDL Number | MFCD00008723 |
| SMILES | CC(=O)OCCCC=C |
| Synonym | 4-pentenyl acetate,4-penten-1-yl acetate,5-acetoxy-1-pentene,unii-v4sif0mabv,pent-4-en-1-yl acetate,pent-4-ene-1-yl acetate,ch3c o o ch2 3ch=ch2,v4sif0mabv,4-penten-1-ol acetate,4-pentenyl acetate # |
| IUPAC Name | pent-4-en-1-yl acetate |
| InChI Key | LVHDNIMNOMRZMF-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
1-Allylhydantoin 98.0+%, TCI America™
CAS: 3366-93-6 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.142 MDL Number: MFCD00142580 InChI Key: KPDTTZWHFZUVCL-UHFFFAOYSA-N PubChem CID: 22020924 IUPAC Name: 1-prop-2-enylimidazolidine-2,4-dione SMILES: C=CCN1CC(=O)NC1=O
| PubChem CID | 22020924 |
|---|---|
| CAS | 3366-93-6 |
| Molecular Weight (g/mol) | 140.142 |
| MDL Number | MFCD00142580 |
| SMILES | C=CCN1CC(=O)NC1=O |
| IUPAC Name | 1-prop-2-enylimidazolidine-2,4-dione |
| InChI Key | KPDTTZWHFZUVCL-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |