CAS Number6066-49-5
Synonyms3-Butyl-phthalide; 3-Butyl-2-benzofuran-1(3H)-one; UNII:822Q956KGM; Butylphthalide; 3-n-butylphthalide; 3-Butylphthalide; EINECS 228-000-8
Molecular FormulaC12H14O2
Molecular Weight190.24
Purity≥98 (HPLC)%
Density1.1±0.1 g/cm3
Boiling Point312.8±31.0 °C at 760 mmHg
Appearanceliquid
EINECS228-000-8
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 6066-49-5 |
| Catalog No. | 2A-9032452 |
| Chinese Name | 丁苯酞 |
| Synonyms | 3-Butyl-phthalide; 3-Butyl-2-benzofuran-1(3H)-one; UNII:822Q956KGM; Butylphthalide; 3-n-butylphthalide; 3-Butylphthalide; EINECS 228-000-8 |
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.24 |
| Purity | ≥98 (HPLC) |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 312.8±31.0 °C at 760 mmHg |
| Appearance | liquid |
| Storage Condition | Warehouse ventilation and low temperature drying |
| Application | Butylphthalide (3-n-Butylphthalide) is an anti-cerebral ischemia drug, originally isolated from celery species and shown to be effective in stroke animal models. |
| EINECS | 228-000-8 |
| HTC | 2932209090 |
| PubChem ID | 329824944 |
| MDL Number | MFCD01704513 |
| SMILES | O=C1C2=CC=CC=C2C(CCCC)O1 |
| InChI | 1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3 |
| InChI Key | HJXMNVQARNZTEE-UHFFFAOYSA-N |
| NACRES Code | NA.25 |
| UNSPSC | 12352205 |
| MSDS | msds/32452_1_6066_49_5.pdf |
| Use of | Properties Name 3-Butylisobenzofuran-1(3H)-one Synonym More Synonyms 3-n-Butylphthalide Biological Activity Related Catalog Signaling Pathways >> Others >> Others Natural Products >> Others Research Areas >> Neurological Disease References [1]. Cui LY, et al. Ninety-day administration of dl-3-n-butylphthalide for acute ischemic stroke: a randomized, double-blind trial. Chin Med J (Engl). 2013;126(18):3405-10. [2]. Zhao W, et al. 3-N-butylphthalide improves neuronal morphology after chronic cerebral ischemia. Neural Regen Res. 2014 Apr 1;9(7):719-26. [3]. Wang X, et al. Design, synthesis and biological evaluation of hydrogen sulfide releasing derivatives of 3-n-butylphthalide as potential antiplatelet and antithrombotic agents. Org Biomol Chem. 2014 Aug 21;12(31):5995-6004. Chemical & Physical Properties Molecular Formula C12H14O2 Exact Mass 190.099380 PSA 26.30000 Index of Refraction 1.525 InChIKey HJXMNVQARNZTEE-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Phthalide, 3-butyl- CAS REGISTRY NUMBER : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C12-H14-O2 MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T56 BVO DHJ D4 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : Standard Draize test ROUTE OF EXPOSURE : Administration onto the skin SPECIES OBSERVED : Rodent - rabbit REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,251,1979 ** ACUTE TOXICITY DATA ** TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,251,1979 Safety Information HS Code 2932209090 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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