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 |
| Packaging | 25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation) |
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.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for L-Shikimic acid (CAS 138-59-0), compiled from public chemistry databases.
| CAS Number | 138-59-0 |
|---|---|
| PubChem CID | 8742 |
| Molecular Formula | C7H10O5 |
| Molecular Weight | 174.05 g/mol |
| IUPAC Name | (3R,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylic acid |
| InChIKey | JXOHGGNKMLTUBP-HSUXUTPPSA-N |
| UNII (FDA) | 29MS2WI2NU |
| 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 notifications | 8.3% (3 / 36) |
|---|
| GHS notifications | 8.3% (3 / 36) |
|---|---|
| Notified hazard statements | H318 (86.1%) |
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: L-Shikimic acid