Organic acids and derivatives
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3-(Acetylthio)propionic Acid 98.0+%, TCI America™
CAS: 41345-70-4 Molecular Formula: C5H8O3S Molecular Weight (g/mol): 148.176 MDL Number: MFCD06208418 InChI Key: AYQXANXXZYKTDL-UHFFFAOYSA-N Synonym: 3-(Acetylthio)propanoic Acid PubChem CID: 262719 IUPAC Name: 3-acetylsulfanylpropanoic acid SMILES: CC(=O)SCCC(=O)O
| PubChem CID | 262719 |
|---|---|
| CAS | 41345-70-4 |
| Molecular Weight (g/mol) | 148.176 |
| MDL Number | MFCD06208418 |
| SMILES | CC(=O)SCCC(=O)O |
| Synonym | 3-(Acetylthio)propanoic Acid |
| IUPAC Name | 3-acetylsulfanylpropanoic acid |
| InChI Key | AYQXANXXZYKTDL-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3S |
Ethyl Gallate 98.0+%, TCI America™
CAS: 831-61-8 Molecular Formula: C9H10O5 Molecular Weight (g/mol): 198.174 MDL Number: MFCD00016430 InChI Key: VFPFQHQNJCMNBZ-UHFFFAOYSA-N Synonym: ethyl gallate,gallic acid ethyl ester,phyllemblin,nipagallin a,progallin a,ethylgallate,nipa no. 48,gallic acid, ethyl ester,benzoic acid, 3,4,5-trihydroxy-, ethyl ester,nipa 48 PubChem CID: 13250 ChEBI: CHEBI:87247 IUPAC Name: ethyl 3,4,5-trihydroxybenzoate SMILES: CCOC(=O)C1=CC(=C(C(=C1)O)O)O
| PubChem CID | 13250 |
|---|---|
| CAS | 831-61-8 |
| Molecular Weight (g/mol) | 198.174 |
| ChEBI | CHEBI:87247 |
| MDL Number | MFCD00016430 |
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)O)O)O |
| Synonym | ethyl gallate,gallic acid ethyl ester,phyllemblin,nipagallin a,progallin a,ethylgallate,nipa no. 48,gallic acid, ethyl ester,benzoic acid, 3,4,5-trihydroxy-, ethyl ester,nipa 48 |
| IUPAC Name | ethyl 3,4,5-trihydroxybenzoate |
| InChI Key | VFPFQHQNJCMNBZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O5 |
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 |
Cyclobutanecarboxylic Acid 97.0+%, TCI America™
CAS: 3721-95-7 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00001323 InChI Key: TXWOGHSRPAYOML-UHFFFAOYSA-N Synonym: cyclobutylcarboxylic acid,cyclo-butyl formic acid,cyclobutane carboxylic acid,unii-0rdj7c51o0,pubchem14139,acmc-1cnqb,cyclobutan carboxylic acid,cyclobutyl carboxylic acid,cyclobutancecarboxylic acid,cyclobutane-carboxylic acid PubChem CID: 19494 IUPAC Name: cyclobutanecarboxylic acid SMILES: OC(=O)C1CCC1
| PubChem CID | 19494 |
|---|---|
| CAS | 3721-95-7 |
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00001323 |
| SMILES | OC(=O)C1CCC1 |
| Synonym | cyclobutylcarboxylic acid,cyclo-butyl formic acid,cyclobutane carboxylic acid,unii-0rdj7c51o0,pubchem14139,acmc-1cnqb,cyclobutan carboxylic acid,cyclobutyl carboxylic acid,cyclobutancecarboxylic acid,cyclobutane-carboxylic acid |
| IUPAC Name | cyclobutanecarboxylic acid |
| InChI Key | TXWOGHSRPAYOML-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
Allyl Cyclohexanepropionate 98.0+%, TCI America™
CAS: 2705-87-5 Molecular Formula: C12H20O2 Molecular Weight (g/mol): 196.29 MDL Number: MFCD00059557 InChI Key: TWXUTZNBHUWMKJ-UHFFFAOYSA-N Synonym: Cyclohexanepropionic Acid Allyl Ester, 3-Cyclohexylpropionic Acid Allyl Ester PubChem CID: 17617 ChEBI: CHEBI:31188 IUPAC Name: prop-2-enyl 3-cyclohexylpropanoate SMILES: C=CCOC(=O)CCC1CCCCC1
| PubChem CID | 17617 |
|---|---|
| CAS | 2705-87-5 |
| Molecular Weight (g/mol) | 196.29 |
| ChEBI | CHEBI:31188 |
| MDL Number | MFCD00059557 |
| SMILES | C=CCOC(=O)CCC1CCCCC1 |
| Synonym | Cyclohexanepropionic Acid Allyl Ester, 3-Cyclohexylpropionic Acid Allyl Ester |
| IUPAC Name | prop-2-enyl 3-cyclohexylpropanoate |
| InChI Key | TWXUTZNBHUWMKJ-UHFFFAOYSA-N |
| Molecular Formula | C12H20O2 |
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 |
2-Methylbutyl DL-2-Methylbutyrate 97.0+%, TCI America™
CAS: 2445-78-5 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.268 MDL Number: MFCD00059395 InChI Key: PVYFCGRBIREQLL-UHFFFAOYSA-N Synonym: DL-2-Methylbutyric Acid 2-Methylbutyl Ester PubChem CID: 17129 IUPAC Name: 2-methylbutyl 2-methylbutanoate SMILES: CCC(C)COC(=O)C(C)CC
| PubChem CID | 17129 |
|---|---|
| CAS | 2445-78-5 |
| Molecular Weight (g/mol) | 172.268 |
| MDL Number | MFCD00059395 |
| SMILES | CCC(C)COC(=O)C(C)CC |
| Synonym | DL-2-Methylbutyric Acid 2-Methylbutyl Ester |
| IUPAC Name | 2-methylbutyl 2-methylbutanoate |
| InChI Key | PVYFCGRBIREQLL-UHFFFAOYSA-N |
| Molecular Formula | C10H20O2 |
Ethyl Lignocerate 98.0+%, TCI America™
CAS: 24634-95-5 Molecular Formula: C26H52O2 Molecular Weight (g/mol): 396.70 MDL Number: MFCD00048673 InChI Key: AKXFYSSXNQQBNT-UHFFFAOYSA-N Synonym: Lignoceric Acid Ethyl Ester, Ethyl Tetracosanoate, Tetracosanoic Acid Ethyl Ester PubChem CID: 141135 IUPAC Name: ethyl tetracosanoate SMILES: CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC
| PubChem CID | 141135 |
|---|---|
| CAS | 24634-95-5 |
| Molecular Weight (g/mol) | 396.70 |
| MDL Number | MFCD00048673 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC |
| Synonym | Lignoceric Acid Ethyl Ester, Ethyl Tetracosanoate, Tetracosanoic Acid Ethyl Ester |
| IUPAC Name | ethyl tetracosanoate |
| InChI Key | AKXFYSSXNQQBNT-UHFFFAOYSA-N |
| Molecular Formula | C26H52O2 |
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 |
Isopropyl Cyanoacetate 97.0+%, TCI America™
CAS: 13361-30-3 Molecular Formula: C6H9NO2 Molecular Weight (g/mol): 127.143 MDL Number: MFCD00019842 InChI Key: BESQLCCRQYTQQI-UHFFFAOYSA-N Synonym: isopropyl cyanoacetate,isopropyl 2-cyanoacetate,cyanoacetic acid isopropyl ester,acetic acid, cyano-, isopropyl ester,unii-0v3mgi9xma,0v3mgi9xma,acetic acid, cyano-, 1-methylethyl ester,propan-2-yl cyanoacetate,prop-2-yl cyanoacetate,acmc-1bsph PubChem CID: 25917 IUPAC Name: propan-2-yl 2-cyanoacetate SMILES: CC(C)OC(=O)CC#N
| PubChem CID | 25917 |
|---|---|
| CAS | 13361-30-3 |
| Molecular Weight (g/mol) | 127.143 |
| MDL Number | MFCD00019842 |
| SMILES | CC(C)OC(=O)CC#N |
| Synonym | isopropyl cyanoacetate,isopropyl 2-cyanoacetate,cyanoacetic acid isopropyl ester,acetic acid, cyano-, isopropyl ester,unii-0v3mgi9xma,0v3mgi9xma,acetic acid, cyano-, 1-methylethyl ester,propan-2-yl cyanoacetate,prop-2-yl cyanoacetate,acmc-1bsph |
| IUPAC Name | propan-2-yl 2-cyanoacetate |
| InChI Key | BESQLCCRQYTQQI-UHFFFAOYSA-N |
| Molecular Formula | C6H9NO2 |
trans-4-Ethylcyclohexanecarboxylic Acid 98.0+%, TCI America™
CAS: 6833-47-2 Molecular Formula: C9H16O2 Molecular Weight (g/mol): 156.23 MDL Number: MFCD01076323,MFCD01568857 InChI Key: UNROFSAOTBVBBT-UHFFFAOYSA-N Synonym: trans-4-ethylcyclohexanecarboxylic acid,4-ethylcyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-ethyl,4-trans-ethyl cyclohexane carboxylic acid,cyclohexanecarboxylic acid, 4-ethyl-, trans,1s,4r-4-ethylcyclohexane-1-carboxylic acid,pubchem2491,acmc-209o2z,ksc352s1t,ksc352s2b PubChem CID: 1490288 IUPAC Name: 4-ethylcyclohexane-1-carboxylic acid SMILES: CCC1CCC(CC1)C(O)=O
| PubChem CID | 1490288 |
|---|---|
| CAS | 6833-47-2 |
| Molecular Weight (g/mol) | 156.23 |
| MDL Number | MFCD01076323,MFCD01568857 |
| SMILES | CCC1CCC(CC1)C(O)=O |
| Synonym | trans-4-ethylcyclohexanecarboxylic acid,4-ethylcyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 4-ethyl,4-trans-ethyl cyclohexane carboxylic acid,cyclohexanecarboxylic acid, 4-ethyl-, trans,1s,4r-4-ethylcyclohexane-1-carboxylic acid,pubchem2491,acmc-209o2z,ksc352s1t,ksc352s2b |
| IUPAC Name | 4-ethylcyclohexane-1-carboxylic acid |
| InChI Key | UNROFSAOTBVBBT-UHFFFAOYSA-N |
| Molecular Formula | C9H16O2 |
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 |
Ethyl 4-Methyl-2-pyrrolecarboxylate 97.0+%, TCI America™
CAS: 40611-85-6 Molecular Formula: C8H11NO2 Molecular Weight (g/mol): 153.18 MDL Number: MFCD00191668 InChI Key: RWFKYBVNHRKZSN-UHFFFAOYSA-N Synonym: 4-Methyl-2-pyrrolecarboxylic Acid Ethyl Ester PubChem CID: 643361 IUPAC Name: ethyl 4-methyl-1H-pyrrole-2-carboxylate SMILES: CCOC(=O)C1=CC(C)=CN1
| PubChem CID | 643361 |
|---|---|
| CAS | 40611-85-6 |
| Molecular Weight (g/mol) | 153.18 |
| MDL Number | MFCD00191668 |
| SMILES | CCOC(=O)C1=CC(C)=CN1 |
| Synonym | 4-Methyl-2-pyrrolecarboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 4-methyl-1H-pyrrole-2-carboxylate |
| InChI Key | RWFKYBVNHRKZSN-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO2 |
3-Cyclohexene-1-carboxylic Acid 98.0+%, TCI America™
CAS: 4771-80-6 Molecular Formula: C7H10O2 Molecular Weight (g/mol): 126.155 MDL Number: MFCD00013781 InChI Key: VUSWCWPCANWBFG-UHFFFAOYSA-N Synonym: 3-cyclohexene-1-carboxylic acid,3-cyclohexenecarboxylic acid,cyclohex-3-enecarboxylic acid,1,2,3,6-tetrahydrobenzoic acid,1-cyclohexene-4-carboxylic acid,delta3-cyclohexenylcarboxylic acid,kyselina 1,2,5,6-tetrahydrobenzoova,3-cyclohexene carboxylic acid,kyselina 1,2,5,6-tetrahydrobenzoova czech,.delta.3-cyclohexenecarboxylic acid PubChem CID: 20903 IUPAC Name: cyclohex-3-ene-1-carboxylic acid SMILES: C1CC(CC=C1)C(=O)O
| PubChem CID | 20903 |
|---|---|
| CAS | 4771-80-6 |
| Molecular Weight (g/mol) | 126.155 |
| MDL Number | MFCD00013781 |
| SMILES | C1CC(CC=C1)C(=O)O |
| Synonym | 3-cyclohexene-1-carboxylic acid,3-cyclohexenecarboxylic acid,cyclohex-3-enecarboxylic acid,1,2,3,6-tetrahydrobenzoic acid,1-cyclohexene-4-carboxylic acid,delta3-cyclohexenylcarboxylic acid,kyselina 1,2,5,6-tetrahydrobenzoova,3-cyclohexene carboxylic acid,kyselina 1,2,5,6-tetrahydrobenzoova czech,.delta.3-cyclohexenecarboxylic acid |
| IUPAC Name | cyclohex-3-ene-1-carboxylic acid |
| InChI Key | VUSWCWPCANWBFG-UHFFFAOYSA-N |
| Molecular Formula | C7H10O2 |
Cyanomethyl Formate 98.0+%, TCI America™
CAS: 150760-95-5 Molecular Formula: C3H3NO2 Molecular Weight (g/mol): 85.06 MDL Number: MFCD00661077 InChI Key: ZFLAEHBSVFWEHW-UHFFFAOYSA-N Synonym: Formic Acid Cyanomethyl Ester PubChem CID: 4205685 IUPAC Name: cyanomethyl formate SMILES: O=COCC#N
| PubChem CID | 4205685 |
|---|---|
| CAS | 150760-95-5 |
| Molecular Weight (g/mol) | 85.06 |
| MDL Number | MFCD00661077 |
| SMILES | O=COCC#N |
| Synonym | Formic Acid Cyanomethyl Ester |
| IUPAC Name | cyanomethyl formate |
| InChI Key | ZFLAEHBSVFWEHW-UHFFFAOYSA-N |
| Molecular Formula | C3H3NO2 |