Introduction：Basic information about CAS 59831-94-6|Isopropyl ferulate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Isopropyl ferulate |
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| CAS Number | 59831-94-6 | Molecular Weight | 236.26400 |
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| Density | 1.145g/cm3 | Boiling Point | 358.2ºC at 760mmHg |
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| Molecular Formula | C13H16O4 | Melting Point | / |
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| MSDS | / | Flash Point | 131.9ºC |
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Names
| Name | propan-2-yl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
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| Synonym | More Synonyms |
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Isopropyl ferulate BiologicalActivity
| Description | Isopropyl ferulate, isolated from Rhizoma et Radix Notopterygii (Qianghuo), is used in the reduction of pharmaceuticals, preparation of antifungal agents, cosmetics and as antioxidant agent and so forth[1]. |
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| Related Catalog | Research Areas >>InfectionSignaling Pathways >>Others >>Others |
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| References | [1]. Kumar A, et al. Synthesis of isopropyl ferulate using silica-immobilized lipase in an organic medium. Enzyme Res. 2011;2011:718949. [2]. Li F, et al. Anti-austerity agents from Rhizoma et Radix Notopterygii (Qianghuo). Planta Med. 2012 May;78(8):796-9. |
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Chemical & Physical Properties
| Density | 1.145g/cm3 |
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| Boiling Point | 358.2ºC at 760mmHg |
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| Molecular Formula | C13H16O4 |
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| Molecular Weight | 236.26400 |
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| Flash Point | 131.9ºC |
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| Exact Mass | 236.10500 |
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| PSA | 55.76000 |
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| LogP | 2.36560 |
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| Index of Refraction | 1.556 |
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| InChIKey | KBTWMQRNUHIETA-FNORWQNLSA-N |
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| SMILES | COc1cc(C=CC(=O)OC(C)C)ccc1O |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- GD9450000
- CHEMICAL NAME :
- Cinnamic acid, 4-hydroxy-3-methoxy-, isopropyl ester
- CAS REGISTRY NUMBER :
- 59831-94-6
- LAST UPDATED :
- 199309
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C13-H16-O4
- MOLECULAR WEIGHT :
- 236.29
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1059 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- IJEBA6 Indian Journal of Experimental Biology. (Publications & Information Directorate, CSIR, Hillside Rd., New Delhi 110 012, India) V.1- 1963- Volume(issue)/page/year: 25,187,1987
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Safety Information
Customs
| HS Code | 2918990090 |
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| Summary | 2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0% |
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Synonyms
| Trans-isopropyl ferulate |
| 4-Hydroxy-3-methoxycinnamic acid isopropyl ester |
| CINNAMIC ACID,4-HYDROXY-3-METHOXY-,ISOPROPYL ESTER |
| Isopropyl ferulate |
