Organic acids and derivatives
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Methyl (S)-(+)-3-Hydroxybutyrate 98.0+%, TCI America™
CAS: 53562-86-0 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.13 MDL Number: MFCD00064461 InChI Key: LDLDJEAVRNAEBW-UHFFFAOYNA-N Synonym: methyl s-+-3-hydroxybutyrate,s-methyl 3-hydroxybutanoate,methyl s-3-hydroxybutyrate,s-3-hydroxybutanoic acid methyl ester,unii-g10281a5ah,methyl 3s-3-hydroxybutanoate,butanoic acid, 3-hydroxy-, methyl ester, 3s,methyl-s-3-hydroxybutyrate,s-+-3-hydroxy-n-butyric acid methyl ester,s-3-hydroxybutyric acid methyl ester PubChem CID: 6950307 IUPAC Name: methyl 3-hydroxybutanoate SMILES: COC(=O)CC(C)O
| PubChem CID | 6950307 |
|---|---|
| CAS | 53562-86-0 |
| Molecular Weight (g/mol) | 118.13 |
| MDL Number | MFCD00064461 |
| SMILES | COC(=O)CC(C)O |
| Synonym | methyl s-+-3-hydroxybutyrate,s-methyl 3-hydroxybutanoate,methyl s-3-hydroxybutyrate,s-3-hydroxybutanoic acid methyl ester,unii-g10281a5ah,methyl 3s-3-hydroxybutanoate,butanoic acid, 3-hydroxy-, methyl ester, 3s,methyl-s-3-hydroxybutyrate,s-+-3-hydroxy-n-butyric acid methyl ester,s-3-hydroxybutyric acid methyl ester |
| IUPAC Name | methyl 3-hydroxybutanoate |
| InChI Key | LDLDJEAVRNAEBW-UHFFFAOYNA-N |
| Molecular Formula | C5H10O3 |
Ethyl L-(-)-Lactate 98.0+%, TCI America™
CAS: 687-47-8 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.132 MDL Number: MFCD00004518 InChI Key: LZCLXQDLBQLTDK-BYPYZUCNSA-N Synonym: ethyl l-lactate,ethyl 2s-2-hydroxypropanoate,l-ethyl lactate,l---ethyl lactate,ethyl l--lactate,ethyl s-2-hydroxypropionate,ethyl l---lactate,s-ethyl lactate,propanoic acid, 2-hydroxy-, ethyl ester, 2s PubChem CID: 92831 ChEBI: CHEBI:78322 IUPAC Name: ethyl (2S)-2-hydroxypropanoate SMILES: CCOC(=O)C(C)O
| PubChem CID | 92831 |
|---|---|
| CAS | 687-47-8 |
| Molecular Weight (g/mol) | 118.132 |
| ChEBI | CHEBI:78322 |
| MDL Number | MFCD00004518 |
| SMILES | CCOC(=O)C(C)O |
| Synonym | ethyl l-lactate,ethyl 2s-2-hydroxypropanoate,l-ethyl lactate,l---ethyl lactate,ethyl l--lactate,ethyl s-2-hydroxypropionate,ethyl l---lactate,s-ethyl lactate,propanoic acid, 2-hydroxy-, ethyl ester, 2s |
| IUPAC Name | ethyl (2S)-2-hydroxypropanoate |
| InChI Key | LZCLXQDLBQLTDK-BYPYZUCNSA-N |
| Molecular Formula | C5H10O3 |
3,4,6-Tri-O-acetyl-2-deoxy-D-glucopyranose 98.0+%, TCI America™
CAS: 69503-94-2 Molecular Formula: C12H18O8 Molecular Weight (g/mol): 290.268 MDL Number: MFCD06797168 InChI Key: KQMOFVGDOWGPPD-QFEGIVONSA-N Synonym: 2-Deoxy-D-glucopyranose 3,4,6-Triacetate PubChem CID: 11748278 IUPAC Name: [(2R,3S,4R)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(CC(O1)O)OC(=O)C)OC(=O)C
| PubChem CID | 11748278 |
|---|---|
| CAS | 69503-94-2 |
| Molecular Weight (g/mol) | 290.268 |
| MDL Number | MFCD06797168 |
| SMILES | CC(=O)OCC1C(C(CC(O1)O)OC(=O)C)OC(=O)C |
| Synonym | 2-Deoxy-D-glucopyranose 3,4,6-Triacetate |
| IUPAC Name | [(2R,3S,4R)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate |
| InChI Key | KQMOFVGDOWGPPD-QFEGIVONSA-N |
| Molecular Formula | C12H18O8 |
Ethyl 2-Methylvalerate 98.0+%, TCI America™
CAS: 39255-32-8 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00036564 InChI Key: HZPKNSYIDSNZKW-UHFFFAOYNA-N Synonym: ethyl 2-methylvalerate,manzanate,pentanoic acid, 2-methyl-, ethyl ester,melon valerate,ethyl alpha-methylvalerate,ethyl .alpha.-methylvalerate,fema no. 3488,ethyl,a-methylvalerate,acmc-1ahki,ethyl 2-methyl pentanoate PubChem CID: 62902 IUPAC Name: ethyl 2-methylpentanoate SMILES: CCCC(C)C(=O)OCC
| PubChem CID | 62902 |
|---|---|
| CAS | 39255-32-8 |
| Molecular Weight (g/mol) | 144.21 |
| MDL Number | MFCD00036564 |
| SMILES | CCCC(C)C(=O)OCC |
| Synonym | ethyl 2-methylvalerate,manzanate,pentanoic acid, 2-methyl-, ethyl ester,melon valerate,ethyl alpha-methylvalerate,ethyl .alpha.-methylvalerate,fema no. 3488,ethyl,a-methylvalerate,acmc-1ahki,ethyl 2-methyl pentanoate |
| IUPAC Name | ethyl 2-methylpentanoate |
| InChI Key | HZPKNSYIDSNZKW-UHFFFAOYNA-N |
| Molecular Formula | C8H16O2 |
4-Ethoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 22237-13-4 Molecular Formula: C8H11BO3 MDL Number: MFCD00674028 InChI Key: WRQNDLDUNQMTCL-UHFFFAOYSA-N PubChem CID: 2734351 IUPAC Name: (4-ethoxyphenyl)boronic acid
| PubChem CID | 2734351 |
|---|---|
| CAS | 22237-13-4 |
| MDL Number | MFCD00674028 |
| IUPAC Name | (4-ethoxyphenyl)boronic acid |
| InChI Key | WRQNDLDUNQMTCL-UHFFFAOYSA-N |
| Molecular Formula | C8H11BO3 |
2,2-Dimethylvaleric Acid 98.0+%, TCI America™
CAS: 1185-39-3 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00021686 InChI Key: ZRYCZAWRXHAAPZ-UHFFFAOYSA-N Synonym: 2,2-Dimethylpentanoic Acid PubChem CID: 14455 IUPAC Name: 2,2-dimethylpentanoic acid SMILES: CCCC(C)(C)C(=O)O
| PubChem CID | 14455 |
|---|---|
| CAS | 1185-39-3 |
| Molecular Weight (g/mol) | 130.187 |
| MDL Number | MFCD00021686 |
| SMILES | CCCC(C)(C)C(=O)O |
| Synonym | 2,2-Dimethylpentanoic Acid |
| IUPAC Name | 2,2-dimethylpentanoic acid |
| InChI Key | ZRYCZAWRXHAAPZ-UHFFFAOYSA-N |
| Molecular Formula | C7H14O2 |
Ethyl 3-Methylvalerate 98.0+%, TCI America™
CAS: 5870-68-8 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.214 MDL Number: MFCD00041390 InChI Key: TXAWGHYFBQBVNK-UHFFFAOYSA-N Synonym: ethyl 3-methylvalerate,pentanoic acid, 3-methyl-, ethyl ester,ethyl beta-methylvalerate,valeric acid, 3-methyl-, ethyl ester,3-methylvaleric acid ethyl ester,3-methylpentanoic acid, ethyl ester,fema no. 3679,ethyl 3-methyl valerate,ethyl 3-methyl pentanoate PubChem CID: 560255 IUPAC Name: ethyl 3-methylpentanoate SMILES: CCC(C)CC(=O)OCC
| PubChem CID | 560255 |
|---|---|
| CAS | 5870-68-8 |
| Molecular Weight (g/mol) | 144.214 |
| MDL Number | MFCD00041390 |
| SMILES | CCC(C)CC(=O)OCC |
| Synonym | ethyl 3-methylvalerate,pentanoic acid, 3-methyl-, ethyl ester,ethyl beta-methylvalerate,valeric acid, 3-methyl-, ethyl ester,3-methylvaleric acid ethyl ester,3-methylpentanoic acid, ethyl ester,fema no. 3679,ethyl 3-methyl valerate,ethyl 3-methyl pentanoate |
| IUPAC Name | ethyl 3-methylpentanoate |
| InChI Key | TXAWGHYFBQBVNK-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
Diethyl Bromomalonate 85.0+%, TCI America™
CAS: 685-87-0 Molecular Formula: C7H11BrO4 Molecular Weight (g/mol): 239.065 MDL Number: MFCD00009138 InChI Key: FNJVDWXUKLTFFL-UHFFFAOYSA-N Synonym: diethyl bromomalonate,diethyl 2-bromomalonate,bromomalonic acid diethyl ester,ethyl bromomalonate,diethylbromomalonate,propanedioic acid, bromo-, diethyl ester,1,3-diethyl 2-bromopropanedioate,diethyl bromopropanedioate,malonic acid, bromo-, diethyl ester,propanedioic acid, 2-bromo-, 1,3-diethyl ester PubChem CID: 69637 IUPAC Name: diethyl 2-bromopropanedioate SMILES: CCOC(=O)C(C(=O)OCC)Br
| PubChem CID | 69637 |
|---|---|
| CAS | 685-87-0 |
| Molecular Weight (g/mol) | 239.065 |
| MDL Number | MFCD00009138 |
| SMILES | CCOC(=O)C(C(=O)OCC)Br |
| Synonym | diethyl bromomalonate,diethyl 2-bromomalonate,bromomalonic acid diethyl ester,ethyl bromomalonate,diethylbromomalonate,propanedioic acid, bromo-, diethyl ester,1,3-diethyl 2-bromopropanedioate,diethyl bromopropanedioate,malonic acid, bromo-, diethyl ester,propanedioic acid, 2-bromo-, 1,3-diethyl ester |
| IUPAC Name | diethyl 2-bromopropanedioate |
| InChI Key | FNJVDWXUKLTFFL-UHFFFAOYSA-N |
| Molecular Formula | C7H11BrO4 |
2-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethyl Methanesulfonate 98.0+%, TCI America™
CAS: 160969-03-9 Molecular Formula: C11H13F3O5S Molecular Weight (g/mol): 314.275 MDL Number: MFCD16038209 InChI Key: HOJMCBMXHWZNKX-UHFFFAOYSA-N Synonym: Methanesulfonic Acid 2-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethyl Ester PubChem CID: 10519307 IUPAC Name: 2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl methanesulfonate SMILES: CS(=O)(=O)OCCOC1=CC=CC=C1OCC(F)(F)F
| PubChem CID | 10519307 |
|---|---|
| CAS | 160969-03-9 |
| Molecular Weight (g/mol) | 314.275 |
| MDL Number | MFCD16038209 |
| SMILES | CS(=O)(=O)OCCOC1=CC=CC=C1OCC(F)(F)F |
| Synonym | Methanesulfonic Acid 2-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethyl Ester |
| IUPAC Name | 2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethyl methanesulfonate |
| InChI Key | HOJMCBMXHWZNKX-UHFFFAOYSA-N |
| Molecular Formula | C11H13F3O5S |
Tri-p-tolylsulfonium Trifluoromethanesulfonate 95.0+%, TCI America™
CAS: 127820-38-6 Molecular Formula: C22H21F3O3S2 Molecular Weight (g/mol): 454.52 MDL Number: MFCD06797188 InChI Key: ZZJNLOGMYQURDL-UHFFFAOYSA-M Synonym: Tris(4-methylphenyl)sulfonium Trifluoromethanesulfonate, Tri-p-tolylsulfonium Triflate PubChem CID: 21863653 IUPAC Name: tris(4-methylphenyl)sulfanium trifluoromethanesulfonate SMILES: [O-]S(=O)(=O)C(F)(F)F.CC1=CC=C(C=C1)[S+](C1=CC=C(C)C=C1)C1=CC=C(C)C=C1
| PubChem CID | 21863653 |
|---|---|
| CAS | 127820-38-6 |
| Molecular Weight (g/mol) | 454.52 |
| MDL Number | MFCD06797188 |
| SMILES | [O-]S(=O)(=O)C(F)(F)F.CC1=CC=C(C=C1)[S+](C1=CC=C(C)C=C1)C1=CC=C(C)C=C1 |
| Synonym | Tris(4-methylphenyl)sulfonium Trifluoromethanesulfonate, Tri-p-tolylsulfonium Triflate |
| IUPAC Name | tris(4-methylphenyl)sulfanium trifluoromethanesulfonate |
| InChI Key | ZZJNLOGMYQURDL-UHFFFAOYSA-M |
| Molecular Formula | C22H21F3O3S2 |
Ethyl Cyclobutanecarboxylate 98.0+%, TCI America™
CAS: 14924-53-9 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00001321 InChI Key: SMVBADCAMQOTOV-UHFFFAOYSA-N Synonym: Cyclobutanecarboxylic Acid Ethyl Ester PubChem CID: 84700 IUPAC Name: ethyl cyclobutanecarboxylate SMILES: CCOC(=O)C1CCC1
| PubChem CID | 84700 |
|---|---|
| CAS | 14924-53-9 |
| Molecular Weight (g/mol) | 128.17 |
| MDL Number | MFCD00001321 |
| SMILES | CCOC(=O)C1CCC1 |
| Synonym | Cyclobutanecarboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl cyclobutanecarboxylate |
| InChI Key | SMVBADCAMQOTOV-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
2-Fluoro-6-methoxyphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 78495-63-3 Molecular Formula: C7H8BFO3 MDL Number: MFCD02179483 InChI Key: XOVMDVZAWWQSDC-UHFFFAOYSA-N PubChem CID: 3294524 IUPAC Name: (2-fluoro-6-methoxyphenyl)boronic acid
| PubChem CID | 3294524 |
|---|---|
| CAS | 78495-63-3 |
| MDL Number | MFCD02179483 |
| IUPAC Name | (2-fluoro-6-methoxyphenyl)boronic acid |
| InChI Key | XOVMDVZAWWQSDC-UHFFFAOYSA-N |
| Molecular Formula | C7H8BFO3 |
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 |
Butyl Decanoate 98.0+%, TCI America™
CAS: 30673-36-0 Molecular Formula: C14H28O2 Molecular Weight (g/mol): 228.376 MDL Number: MFCD00053823 InChI Key: ZRNCNTSXSYXHOW-UHFFFAOYSA-N Synonym: Decanoic Acid Butyl Ester PubChem CID: 35408 IUPAC Name: butyl decanoate SMILES: CCCCCCCCCC(=O)OCCCC
| PubChem CID | 35408 |
|---|---|
| CAS | 30673-36-0 |
| Molecular Weight (g/mol) | 228.376 |
| MDL Number | MFCD00053823 |
| SMILES | CCCCCCCCCC(=O)OCCCC |
| Synonym | Decanoic Acid Butyl Ester |
| IUPAC Name | butyl decanoate |
| InChI Key | ZRNCNTSXSYXHOW-UHFFFAOYSA-N |
| Molecular Formula | C14H28O2 |
Trimellitic Acid 98.0+%, TCI America™
CAS: 528-44-9 Molecular Formula: C9H6O6 Molecular Weight (g/mol): 210.14 MDL Number: MFCD00002470 InChI Key: ARCGXLSVLAOJQL-UHFFFAOYSA-N Synonym: 1,2,4-benzenetricarboxylic acid,trimellitic acid,1,2,4-tricarboxybenzene,4-carboxyphthalic acid,1,3,4-benzenetricarboxylic acid,1,4,5-benzenetricarboxylic acid,1,2,4-benzenetricarboxylicacid,unii-7nvy29mq5f,7nvy29mq5f,dsstox_cid_1487 PubChem CID: 10708 ChEBI: CHEBI:166055 IUPAC Name: benzene-1,2,4-tricarboxylic acid SMILES: OC(=O)C1=CC=C(C(O)=O)C(=C1)C(O)=O
| PubChem CID | 10708 |
|---|---|
| CAS | 528-44-9 |
| Molecular Weight (g/mol) | 210.14 |
| ChEBI | CHEBI:166055 |
| MDL Number | MFCD00002470 |
| SMILES | OC(=O)C1=CC=C(C(O)=O)C(=C1)C(O)=O |
| Synonym | 1,2,4-benzenetricarboxylic acid,trimellitic acid,1,2,4-tricarboxybenzene,4-carboxyphthalic acid,1,3,4-benzenetricarboxylic acid,1,4,5-benzenetricarboxylic acid,1,2,4-benzenetricarboxylicacid,unii-7nvy29mq5f,7nvy29mq5f,dsstox_cid_1487 |
| IUPAC Name | benzene-1,2,4-tricarboxylic acid |
| InChI Key | ARCGXLSVLAOJQL-UHFFFAOYSA-N |
| Molecular Formula | C9H6O6 |