L-Shikimic acid (CAS 138-59-0) — formula C7H10O5, molecular weight 174.05 g/mol.
| CAS Number | 138-59-0 |
|---|---|
| Molecular Formula | C7H10O5 |
| Molecular Weight | 174.05 g/mol |
| Melting Point | 183-184.5 °C |
| LogP | -1.7 |
| Applications | Uses: Active component in the flotation reagent Quebracho, [HSDB] Precursor of the aromatic nucleus of tocopherols synthesized by algae and higher plants, Also a precursor in the biosynthesis of the naphthoquinone ring of vitamin K by plants and bacteria, L-tyrosine, L-phenylalanine, and L-tryptophan are synthesized in nature in the shikimic acid pathway, [Ullmann], Active component in the flotation reagent Quebracho, depressant for carbonates, fluorite, and non-sulfides, Methods of Manufacturing: CHEMICAL SYNTHESIS: SMISSMAN ET AL, J AM CHEM SOC 84: 1040 (1962)., Isolation from the fruit of the oriental plant Illicium religiosum (Seib et Jucc, Magnoliacea: JF Eykman, Rec Trav Chim 4: 32 (1885), idem Ber 24: 1278 (1891), improved synthesis: JL Pawlak, GA Berchtold, J Org Chem 52: 1765 (1987) |
Documented applications: Uses: Active component in the flotation reagent Quebracho, [HSDB] Precursor of the aromatic nucleus of tocopherols synthesized by algae and higher plants, Also a precursor in the biosynthesis of the naphthoquinone ring of vitamin K by plants and bacteria, L-tyrosine, L-phenylalanine, and L-tryptophan are synthesized in nature in the shikimic acid pathway, [Ullmann], Active component in the flotation reagent Quebracho, depressant for carbonates, fluorite, and non-sulfides, Methods of Manufacturing: CHEMICAL SYNTHESIS: SMISSMAN ET AL, J AM CHEM SOC 84: 1040 (1962)., Isolation from the fruit of the oriental plant Illicium religiosum (Seib et Jucc, Magnoliacea: JF Eykman, Rec Trav Chim 4: 32 (1885), idem Ber 24: 1278 (1891), improved synthesis: JL Pawlak, GA Berchtold, J Org Chem 52: 1765 (1987).
L-Shikimic acid is a chemical compound with CAS registry number 138-59-0 and molecular formula C7H10O5 (molecular weight 174.05 g/mol).
CAS number: 138-59-0
Its molecular formula C7H10O5 comprises 7 C, 10 H, 5 O atoms.
Also known as: L-Shikimic acid · Shikimic acid
The CAS registry number of L-Shikimic acid is 138-59-0.
Molecular formula C7H10O5, molecular weight 174.05 g/mol.
It is also registered under: L-Shikimic acid, Shikimic acid.
Recorded applications: Uses: Active component in the flotation reagent Quebracho, [HSDB] Precursor of the aromatic nucleus of tocopherols synthesized by algae and higher plants, Also a precursor in the biosynthesis of the naphthoquinone ring of vitamin K by plants and bacteria, L-tyrosine, L-phenylalanine, and L-tryptophan are synthesized in nature in the shikimic acid pathway, [Ullmann], Active component in the flotation reagent Quebracho, depressant for carbonates, fluorite, and non-sulfides, Methods of Manufacturing: CHEMICAL SYNTHESIS: SMISSMAN ET AL, J AM CHEM SOC 84: 1040 (1962)., Isolation from the fruit of the oriental plant Illicium religiosum (Seib et Jucc, Magnoliacea: JF Eykman, Rec Trav Chim 4: 32 (1885), idem Ber 24: 1278 (1891), improved synthesis: JL Pawlak, GA Berchtold, J Org Chem 52: 1765 (1987).
Independent reference data for L-Shikimic acid (CAS 138-59-0), compiled from public chemistry databases.
| CAS 号 | 138-59-0 |
|---|---|
| PubChem CID | 8742 |
| 分子式 | C7H10O5 |
| 分子量 | 174.05 g/mol |
| IUPAC 名称 | (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid |
| InChIKey | JXOHGGNKMLTUBP-HSUXUTPPSA-N |
| UNII（FDA） | 29MS2WI2NU |
| ChEBI 编号 | CHEBI:16119 |
| Molecular Weight | 174.15 |
|---|---|
| XLogP3 | -1.7 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 174.05282342 |
| Monoisotopic Mass | 174.05282342 |
| Topological Polar Surface Area | 98 |
| Heavy Atom Count | 12 |
| Melting Point | 183-184.5 °C |
|---|---|
| Melting Point | 186 °C |
| Solubility | 150 mg/mL at 21 °C |
| Vapor Pressure | 0.00000001 [mmHg] |
| Dissociation Constants | K = 7.1X10-5 at 14.1 °C |
| Collision Cross Section | 137.7 Ų [M-H]- |
| Collision Cross Section | 148.6 Ų [M+H]+ |
shikimic acid; 138-59-0; (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID; 1-cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R,4S,5R)-; Bracken fern toxic component; (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid; 3alpha,4alpha,5beta-Trihydroxy-1-cyclohexene-1-carboxylic acid; 29MS2WI2NU; VEROCHIC; DTXSID4032039; 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R-(3alpha,4alpha,5beta))-; 3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid; CHEBI:16119; NSC-59257; Acid, Shikimic; Shikimic Acid Derivatives
| GHS 通报统计 | 8.3% (3 / 36) |
|---|
| GHS 通报统计 | 8.3% (3 / 36) |
|---|---|
| 已通报的危害声明 | H318 (86.1%) |
L-Shikimic acid 的 CAS 号为 138-59-0，分子式 C7H10O5，分子量 174.05 g/mol。 UNII 29MS2WI2NU; ChEBI 16119; InChIKey JXOHGGNKMLTUBP-HSUXUTPPSA-N. Melting Point: 183-184.5 °C; Melting Point: 186 °C; Solubility: 150 mg/mL at 21 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: L-Shikimic acid