beta-Asarone β-细辛醚
CAS 5273-86-9 MFCD00009281
化学结构图
SMILES: CC=Cc1cc(OC)c(OC)cc1OC
化学属性
| Mol. Formula | C12H16O3 |
|---|---|
| Mol. Weight | 208.25 |
| Refractive index | n20/D 1.558(lit.) |
| Density | 1.073 g/mL at 25 °C(lit.) |
| Flash Point | 107.7°C |
| Boiling Point | 296°C at 760 mmHg |
别名和识别编码
| Chemical Name | (Z)-1,2,4-Trimethoxy-5-(Prop-1-En-1-Yl)Benzene |
|---|---|
| MDL Number | MFCD00009281 |
| CAS Number | 5273-86-9 |
| Synonym | (E)-asarone (Z)-1,2,4-Trimethoxy-5-(1-propenyl)benzene (Z)-5-Propenyl-1,2,4-trimethoxybenzene (Z)-Asarone (Z)-Asarone; cis-Asarone; cis-Isoasarone (Z)-asarone (z)-1,2,4-trimethoxy-5-(1-propenyl)benzene 1,2,4-TRIMETHOXY-5-((Z)-1-PROPENYL)BENZENE 1,2,4-trimethoxy-5-propenylbenzene, z- 2,4,5-Trimethoxy-1-propenylbenzene 2,4,5-trimethoxypropen-1-ylbenzene 2,4,5-三甲氧基-1-丙烯基苯 2,4-trimethoxy-5-(1-propenyl)-(z)-benzen 2,4-trimethoxy-5-propenyl-(z)-benzen ASARONE, B- B-ASARONE BETA-ASARONE BETA-ASARONE (PHENOL DERIVATIVE) BETA-细辛脑 Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (Z)- Benzene, 1,2,4-trimethoxy-5-propenyl-, (Z)- Beta-asarone CIS-2,4,5-TRIMETHOXY-1-PROPENYLBENZE |
| EC Number | 226-096-6 |
| Beilstein Registry Number | 1910605 |
| PubChem Substance ID | 5281758 |
| Chemical Name Translation | β-细辛醚 |
| LabNetwork Molecule ID | LN01280847 |
| InChI | InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5- |
| Canonical SMILES | C/C=C\C1=C(OC)C=C(OC)C(OC)=C1 |
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分类
- {SNA} Acyclic, Alkenes, Building Blocks, Chemical Synthesis, Organic Building Blocks
安全信息
GHS Symbol
- H302 Harmful if swallowed 吞食有害
- H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
- S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾；
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- R22 Harmful if swallowed 吞咽有害
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 52 mg/kg TOXIC EFFECTS : Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors REFERENCE : CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 47,2275,1987
TYPE OF TEST : Cytogenetic analysis TEST SYSTEM : Human Lymphocyte DOSE/DURATION : 107 mg/L REFERENCE : PLMEAA Planta Medica. (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart 1, Fed. Rep. Ger.) V.1- 1953- Volume(issue)/page/year: 53,251,1987
TYPE OF TEST : Sister chromatid exchange TEST SYSTEM : Human Lymphocyte DOSE/DURATION : 107 mg/L REFERENCE : PLMEAA Planta Medica. (Georg Thieme Verlag, Postfach 732, D-7000 Stuttgart 1, Fed. Rep. Ger.) V.1- 1953- Volume(issue)/page/year: 53,251,1987
TYPE OF TEST : Unscheduled DNA synthesis TEST SYSTEM : Rodent - rat Liver DOSE/DURATION : 500 umol/L REFERENCE : FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 32,223,1994
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- P273 Avoid release to the environment. 避免释放到环境中。
- P301+P312
- P301+P317
- P330 Rinse mouth. 漱口
- P501 Dispose of contents/container to..… 处理内容物/容器.....
其他信息
- 可燃性危险特性:可燃; 燃烧产生刺激烟雾
- 毒性分级:高毒
- 用途一:平喘、化痰、止咳。
- 储运特性:通风低温干燥
- MOL 文件:5273-86-9.mol
- Sigma Aldrich:5273-86-9(sigmaaldrich)
- 急性毒性:参考值： 口服-小鼠 LD50： 418 毫克/公斤； 腹腔-小鼠 LD50： 310 毫克/公斤
- 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
- 类别:有毒物品
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