CAS Number59831-94-6
SynonymsTrans-isopropyl ferulate; 4-Hydroxy-3-methoxycinnamic acid isopropyl ester; CINNAMIC ACID,4-HYDROXY-3-METHOXY-,ISOPROPYL ESTER; Isopropyl ferulate
Molecular FormulaC13H16O4
Molecular Weight236.26400
Purity98.00%
Density1.145g/cm3
Boiling Point358.2ºC at 760mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 59831-94-6 |
| Catalog No. | 2A-9045257 |
| Chinese Name | 阿魏酸异丙酯 |
| Synonyms | Trans-isopropyl ferulate; 4-Hydroxy-3-methoxycinnamic acid isopropyl ester; CINNAMIC ACID,4-HYDROXY-3-METHOXY-,ISOPROPYL ESTER; Isopropyl ferulate |
| Molecular Formula | C13H16O4 |
| Molecular Weight | 236.26400 |
| Purity | 98.00 |
| Density | 1.145g/cm3 |
| Boiling Point | 358.2ºC at 760mmHg |
| Application | Isopropyl ferulate is an extract of Rhizoma et Radix and can be used for drug reduction, preparation of antifungal agents, cosmetics and oxidants. |
| HTC | 2918990090 |
| PubChem ID | 11621122 |
| SMILES | COc1cc(C=CC(=O)OC(C)C)ccc1O |
| InChI | InChI=1S/C13H16O4/c1-9(2)17-13(15)7-5-10-4-6-11(14)12(8-10)16-3/h4-9,14H,1-3H3/b7-5+ |
| InChI Key | KBTWMQRNUHIETA-FNORWQNLSA-N |
| Use of | 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]. Properties Name propan-2-yl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Synonym More Synonyms Isopropyl ferulate Biological Activity 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]. Related Catalog Research Areas >> Infection Signaling Pathways >> Others >> Others 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. Chemical & Physical Properties Molecular Formula C13H16O4 Exact Mass 236.10500 PSA 55.76000 LogP 2.36560 Index of Refraction 1.556 InChIKey KBTWMQRNUHIETA-FNORWQNLSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Cinnamic acid, 4-hydroxy-3-methoxy-, isopropyl ester CAS REGISTRY NUMBER : 59831-94-6 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C13-H16-O4 MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 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 Safety Information HS Code 2918990090 Synthetic Route Total: 1 Page Malonic acid hy... CAS#:56766-77-9 CAS#:121-33-5 Isopropyl ferulate CAS#:59831-94-6 Literature: Wang, Huan; Wei, Qing-Yi; Jiang, Hong; Jiang, Zhen-Hua Research on Chemical Intermediates, 2012 , vol. 38, # 1 p. 207 - 213 ferulic acid CAS#:1135-24-6 Isopropanol CAS#:67-63-0 Isopropyl ferulate CAS#:59831-94-6 Literature: Li, Weixia; Li, Nianguang; Tang, Yuping; Li, Baoquan; Liu, Li; Zhang, Xu; Fu, Haian; Duan, Jin-Ao Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 19 p. 6085 - 6088 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 30.0% |
| Transport Info | Product name: 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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