Organic acids and derivatives
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Isobutyl Formate 95.0+%, TCI America™
CAS: 542-55-2 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00003293 InChI Key: AVMSWPWPYJVYKY-UHFFFAOYSA-N Synonym: isobutyl formate,isobutyl methanoate,tetryl formate,formic acid, 2-methylpropyl ester,iso-butyl formate,formic acid, isobutyl ester,isobutyl methanote,2-methyl-1-propyl formate,isobutyl formate natural,isobutylester kyseliny mravenci PubChem CID: 10957 IUPAC Name: 2-methylpropyl formate SMILES: CC(C)COC=O
| PubChem CID | 10957 |
|---|---|
| CAS | 542-55-2 |
| Molecular Weight (g/mol) | 102.133 |
| MDL Number | MFCD00003293 |
| SMILES | CC(C)COC=O |
| Synonym | isobutyl formate,isobutyl methanoate,tetryl formate,formic acid, 2-methylpropyl ester,iso-butyl formate,formic acid, isobutyl ester,isobutyl methanote,2-methyl-1-propyl formate,isobutyl formate natural,isobutylester kyseliny mravenci |
| IUPAC Name | 2-methylpropyl formate |
| InChI Key | AVMSWPWPYJVYKY-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
Isoamyl Butyrate 98.0+%, TCI America™
CAS: 106-27-4 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.24 MDL Number: MFCD00044888 InChI Key: PQLMXFQTAMDXIZ-UHFFFAOYSA-N Synonym: isoamyl butyrate,isopentyl butyrate,isopentyl butanoate,isoamyl butanoate,butanoic acid, 3-methylbutyl ester,3-methylbutyl butyrate,butyric acid, isopentyl ester,isoamyl-n-butyrate,isopentyl alcohol, butyrate,isoamyl butylate PubChem CID: 7795 ChEBI: CHEBI:87422 IUPAC Name: 3-methylbutyl butanoate SMILES: CCCC(=O)OCCC(C)C
| PubChem CID | 7795 |
|---|---|
| CAS | 106-27-4 |
| Molecular Weight (g/mol) | 158.24 |
| ChEBI | CHEBI:87422 |
| MDL Number | MFCD00044888 |
| SMILES | CCCC(=O)OCCC(C)C |
| Synonym | isoamyl butyrate,isopentyl butyrate,isopentyl butanoate,isoamyl butanoate,butanoic acid, 3-methylbutyl ester,3-methylbutyl butyrate,butyric acid, isopentyl ester,isoamyl-n-butyrate,isopentyl alcohol, butyrate,isoamyl butylate |
| IUPAC Name | 3-methylbutyl butanoate |
| InChI Key | PQLMXFQTAMDXIZ-UHFFFAOYSA-N |
| Molecular Formula | C9H18O2 |
3-Methylhexyl Acetate 95.0+%, TCI America™
CAS: 50373-54-1 Molecular Formula: C9H18O2 Molecular Weight (g/mol): 158.241 MDL Number: MFCD01321123 InChI Key: JASARFBWVJNEMI-UHFFFAOYSA-N Synonym: Acetic Acid 3-Methylhexyl Ester PubChem CID: 44630061 IUPAC Name: 3-methylhexyl acetate SMILES: CCCC(C)CCOC(=O)C
| PubChem CID | 44630061 |
|---|---|
| CAS | 50373-54-1 |
| Molecular Weight (g/mol) | 158.241 |
| MDL Number | MFCD01321123 |
| SMILES | CCCC(C)CCOC(=O)C |
| Synonym | Acetic Acid 3-Methylhexyl Ester |
| IUPAC Name | 3-methylhexyl acetate |
| InChI Key | JASARFBWVJNEMI-UHFFFAOYSA-N |
| Molecular Formula | C9H18O2 |
1-Phenyl-1-cyclohexanecarboxylic Acid 95.0+%, TCI America™
CAS: 1135-67-7 Molecular Formula: C13H16O2 Molecular Weight (g/mol): 204.269 MDL Number: MFCD00037152 InChI Key: QXXHHHWXFHPNOS-UHFFFAOYSA-N Synonym: 1-phenylcyclohexanecarboxylic acid,1-phenyl-1-cyclohexanecarboxylic acid,1-phenyl-cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 1-phenyl,acmc-1c6ij,1-phenylcyclohexanecarboxylicacid,qxxhhhwxfhpnos-uhfffaoysa,1-phenylcyclohexanecarboxylic acid #,cyclohexanecarboxylicacid, 1-phenyl,1-phenyl-1-cyclohexane carboxylic acid PubChem CID: 70817 IUPAC Name: 1-phenylcyclohexane-1-carboxylic acid SMILES: C1CCC(CC1)(C2=CC=CC=C2)C(=O)O
| PubChem CID | 70817 |
|---|---|
| CAS | 1135-67-7 |
| Molecular Weight (g/mol) | 204.269 |
| MDL Number | MFCD00037152 |
| SMILES | C1CCC(CC1)(C2=CC=CC=C2)C(=O)O |
| Synonym | 1-phenylcyclohexanecarboxylic acid,1-phenyl-1-cyclohexanecarboxylic acid,1-phenyl-cyclohexanecarboxylic acid,cyclohexanecarboxylic acid, 1-phenyl,acmc-1c6ij,1-phenylcyclohexanecarboxylicacid,qxxhhhwxfhpnos-uhfffaoysa,1-phenylcyclohexanecarboxylic acid #,cyclohexanecarboxylicacid, 1-phenyl,1-phenyl-1-cyclohexane carboxylic acid |
| IUPAC Name | 1-phenylcyclohexane-1-carboxylic acid |
| InChI Key | QXXHHHWXFHPNOS-UHFFFAOYSA-N |
| Molecular Formula | C13H16O2 |
Cesium Acetate 98.0+%, TCI America™
CAS: 3396-11-0 Molecular Formula: C2H3CsO2 Molecular Weight (g/mol): 191.949 MDL Number: MFCD00013056 InChI Key: ZOAIGCHJWKDIPJ-UHFFFAOYSA-M Synonym: cesium acetate,acetic acid, cesium salt,caesium acetate,acetic acid, cesium salt 1:1,acetic acid, cesiumsalt,acetic acid cesium salt,caesium 1+ ion acetate,cesiumacetate,acetic acid cesium,caesium 1+ acetate ion PubChem CID: 5152919 IUPAC Name: cesium;acetate SMILES: CC(=O)[O-].[Cs+]
| PubChem CID | 5152919 |
|---|---|
| CAS | 3396-11-0 |
| Molecular Weight (g/mol) | 191.949 |
| MDL Number | MFCD00013056 |
| SMILES | CC(=O)[O-].[Cs+] |
| Synonym | cesium acetate,acetic acid, cesium salt,caesium acetate,acetic acid, cesium salt 1:1,acetic acid, cesiumsalt,acetic acid cesium salt,caesium 1+ ion acetate,cesiumacetate,acetic acid cesium,caesium 1+ acetate ion |
| IUPAC Name | cesium;acetate |
| InChI Key | ZOAIGCHJWKDIPJ-UHFFFAOYSA-M |
| Molecular Formula | C2H3CsO2 |
Isobutyl n-Octanoate 99.0+%, TCI America™
CAS: 5461-06-3 Molecular Formula: C12H24O2 Molecular Weight (g/mol): 200.32 MDL Number: MFCD00059444 InChI Key: CFQRBRGFNFRMBD-UHFFFAOYSA-N Synonym: n-Octanoic Acid Isobutyl Ester PubChem CID: 79582 IUPAC Name: 2-methylpropyl octanoate SMILES: CCCCCCCC(=O)OCC(C)C
| PubChem CID | 79582 |
|---|---|
| CAS | 5461-06-3 |
| Molecular Weight (g/mol) | 200.32 |
| MDL Number | MFCD00059444 |
| SMILES | CCCCCCCC(=O)OCC(C)C |
| Synonym | n-Octanoic Acid Isobutyl Ester |
| IUPAC Name | 2-methylpropyl octanoate |
| InChI Key | CFQRBRGFNFRMBD-UHFFFAOYSA-N |
| Molecular Formula | C12H24O2 |
Ethyl 2,3-Butadienoate 95.0+%, TCI America™
CAS: 14369-81-4 Molecular Formula: C6H8O2 Molecular Weight (g/mol): 112.128 MDL Number: MFCD01863567 InChI Key: GLSUOACRAMLJIW-UHFFFAOYSA-N Synonym: 2,3-Butadienoic Acid Ethyl Ester PubChem CID: 4066088 IUPAC Name: ethyl buta-2,3-dienoate SMILES: CCOC(=O)C=C=C
| PubChem CID | 4066088 |
|---|---|
| CAS | 14369-81-4 |
| Molecular Weight (g/mol) | 112.128 |
| MDL Number | MFCD01863567 |
| SMILES | CCOC(=O)C=C=C |
| Synonym | 2,3-Butadienoic Acid Ethyl Ester |
| IUPAC Name | ethyl buta-2,3-dienoate |
| InChI Key | GLSUOACRAMLJIW-UHFFFAOYSA-N |
| Molecular Formula | C6H8O2 |
2,2-Dimethylbutyric Acid 96.0+%, TCI America™
CAS: 595-37-9 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00004200 InChI Key: VUAXHMVRKOTJKP-UHFFFAOYSA-N Synonym: 2,2-dimethylbutyric acid,butanoic acid, 2,2-dimethyl,2,2-dimethyl-butanoic acid,2,2-dimethyl butyric acid,2,2-dimethyl butanoic acid,unii-ay606cn05o,butyric acid, 2,2-dimethyl,dimethyl ethyl acetic acid,2,2-dimethyl-butyric acid,.alpha.,.alpha.-dimethylbutyric acid PubChem CID: 11684 ChEBI: CHEBI:38649 IUPAC Name: 2,2-dimethylbutanoic acid SMILES: CCC(C)(C)C(=O)O
| PubChem CID | 11684 |
|---|---|
| CAS | 595-37-9 |
| Molecular Weight (g/mol) | 116.16 |
| ChEBI | CHEBI:38649 |
| MDL Number | MFCD00004200 |
| SMILES | CCC(C)(C)C(=O)O |
| Synonym | 2,2-dimethylbutyric acid,butanoic acid, 2,2-dimethyl,2,2-dimethyl-butanoic acid,2,2-dimethyl butyric acid,2,2-dimethyl butanoic acid,unii-ay606cn05o,butyric acid, 2,2-dimethyl,dimethyl ethyl acetic acid,2,2-dimethyl-butyric acid,.alpha.,.alpha.-dimethylbutyric acid |
| IUPAC Name | 2,2-dimethylbutanoic acid |
| InChI Key | VUAXHMVRKOTJKP-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
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 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 |
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 |
Amyl Acetate 99.0+%, TCI America™
CAS: 628-63-7 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00009500 InChI Key: PGMYKACGEOXYJE-UHFFFAOYSA-N Synonym: amyl acetate,n-amyl acetate,acetic acid, pentyl ester,n-pentyl acetate,amyl acetic ester,1-pentyl acetate,n-pentyl ethanoate,birnenoel,pent-acetate,amyl acetic ether PubChem CID: 12348 ChEBI: CHEBI:87362 IUPAC Name: pentyl acetate SMILES: CCCCCOC(=O)C
| PubChem CID | 12348 |
|---|---|
| CAS | 628-63-7 |
| Molecular Weight (g/mol) | 130.187 |
| ChEBI | CHEBI:87362 |
| MDL Number | MFCD00009500 |
| SMILES | CCCCCOC(=O)C |
| Synonym | amyl acetate,n-amyl acetate,acetic acid, pentyl ester,n-pentyl acetate,amyl acetic ester,1-pentyl acetate,n-pentyl ethanoate,birnenoel,pent-acetate,amyl acetic ether |
| IUPAC Name | pentyl acetate |
| InChI Key | PGMYKACGEOXYJE-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
Ethyl 1-Naphthaleneacetate 96.0+%, TCI America™
CAS: 2122-70-5 Molecular Formula: C14H14O2 Molecular Weight (g/mol): 214.264 MDL Number: MFCD00021579 InChI Key: XIDPSKQLXKCVQN-UHFFFAOYSA-N Synonym: 1-Naphthaleneacetic Acid Ethyl Ester PubChem CID: 62428 IUPAC Name: ethyl 2-naphthalen-1-ylacetate SMILES: CCOC(=O)CC1=CC=CC2=CC=CC=C21
| PubChem CID | 62428 |
|---|---|
| CAS | 2122-70-5 |
| Molecular Weight (g/mol) | 214.264 |
| MDL Number | MFCD00021579 |
| SMILES | CCOC(=O)CC1=CC=CC2=CC=CC=C21 |
| Synonym | 1-Naphthaleneacetic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-naphthalen-1-ylacetate |
| InChI Key | XIDPSKQLXKCVQN-UHFFFAOYSA-N |
| Molecular Formula | C14H14O2 |
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 |
Ethyl Acetate 99.5+%, TCI America™
CAS: 141-78-6 Molecular Formula: C4H8O2 Molecular Weight (g/mol): 88.106 MDL Number: MFCD00009171 InChI Key: XEKOWRVHYACXOJ-UHFFFAOYSA-N Synonym: ethyl ethanoate,acetoxyethane,acetic acid ethyl ester,acetic ether,ethyl acetic ester,vinegar naphtha,acetic acid, ethyl ester,ethylacetate,acetidin,acetic ester PubChem CID: 8857 ChEBI: CHEBI:27750 IUPAC Name: ethyl acetate SMILES: CCOC(=O)C
| PubChem CID | 8857 |
|---|---|
| CAS | 141-78-6 |
| Molecular Weight (g/mol) | 88.106 |
| ChEBI | CHEBI:27750 |
| MDL Number | MFCD00009171 |
| SMILES | CCOC(=O)C |
| Synonym | ethyl ethanoate,acetoxyethane,acetic acid ethyl ester,acetic ether,ethyl acetic ester,vinegar naphtha,acetic acid, ethyl ester,ethylacetate,acetidin,acetic ester |
| IUPAC Name | ethyl acetate |
| InChI Key | XEKOWRVHYACXOJ-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2 |