CAS 138-59-0|Shikimic acid
Introduction：Basic information about CAS 138-59-0|Shikimic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Shikimic acid | ||
|---|---|---|---|
| CAS Number | 138-59-0 | Molecular Weight | 174.151 |
| Density | 1.7±0.1 g/cm3 | Boiling Point | 400.5±45.0 °C at 760 mmHg |
| Molecular Formula | C7H10O5 | Melting Point | 185-187 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 210.1±25.2 °C |
Names
| Name | Shikimic acid |
|---|---|
| Synonym | More Synonyms |
Shikimic acid BiologicalActivity
| Description | Shikimic acid is a key metabolic intermediate of the aromatic amino acid biosynthesis pathway, found in microbes and plants. |
|---|---|
| Related Catalog | Natural Products >>Acids and AldehydesResearch Areas >>Others |
| Target | Human Endogenous Metabolite |
| In Vitro | Shikimic acid is an important metabolic intermediate with various applications. Shikimic acid is an industrially important compound that acts as a precursor in the synthesis of many chemical substances like oseltamivir phosphate[1]. |
| References | [1]. Lee MY, et al. Improvement of shikimic acid production in Escherichia coli with growth phase-dependent regulation in the biosynthetic pathway from glycerol. World J Microbiol Biotechnol. 2017 Feb;33(2):25. |
Chemical & Physical Properties
| Density | 1.7±0.1 g/cm3 |
|---|---|
| Boiling Point | 400.5±45.0 °C at 760 mmHg |
| Melting Point | 185-187 °C(lit.) |
| Molecular Formula | C7H10O5 |
| Molecular Weight | 174.151 |
| Flash Point | 210.1±25.2 °C |
| Exact Mass | 174.052826 |
| PSA | 97.99000 |
| LogP | -0.92 |
| Vapour Pressure | 0.0±2.1 mmHg at 25°C |
| Index of Refraction | 1.680 |
| InChIKey | JXOHGGNKMLTUBP-HSUXUTPPSA-N |
| SMILES | O=C(O)C1=CC(O)C(O)C(O)C1 |
| Water Solubility | 18 g/100 mL (20 ºC) |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 4000 mg/kg
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 40 mg/kg
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
- TYPE OF TEST :
- Dominant lethal test
- TYPE OF TEST :
- Dominant lethal test
MUTATION DATA - TYPE OF TEST :
- Morphological transformation
- TEST SYSTEM :
- Rodent - hamster Kidney
- DOSE/DURATION :
- 250 mg/L
- REFERENCE :
- TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 19,43,1983 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 40,47,1986 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 40,47,1986 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 TOXICOLOGY REVIEW CTRRDO Cancer Treatment Reports. (Washington, DC) V.60-71, 1976-87. For publisher information, see JNCIEQ. Volume(issue)/page/year: 60,1171,1976
- TYPE OF TEST :
- Morphological transformation
- TEST SYSTEM :
- Rodent - hamster Kidney
- DOSE/DURATION :
- 250 mg/L
- REFERENCE :
- TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 19,43,1983 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 40,47,1986 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 40,47,1986 IARC Cancer Review:Group 3 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 TOXICOLOGY REVIEW CTRRDO Cancer Treatment Reports. (Washington, DC) V.60-71, 1976-87. For publisher information, see JNCIEQ. Volume(issue)/page/year: 60,1171,1976
Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | Xi: Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S22-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| RTECS | GW4600000 |
| HS Code | 29181980 |
Customs
| HS Code | 2918199090 |
|---|---|
| Summary | 2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
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Synonyms
| (3R,4S,5R)-3,4,5-Trihydroxycyclohex-1-enecarboxylic acid |
| MFCD00066278 |
| 3,4,5-Trihydroxycyclohex-1-enecarboxylic acid |
| 3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid |
| (3R,4S,5R)-(-)-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic Acid |
| EINECS 205-334-2 |
| 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy- |
| 3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid |
| (3R,4S,5R)-(−)-3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid |
| 3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid |
| Shikimic Acid |
