Thymoquinone 百里醌

CAS 490-91-5 MFCD00001602

化学结构图

490-91-5
SMILES: CC1=CC(=O)C(C(C)C)=CC1=O

化学属性

Mol. FormulaC10H12O2
Mol. Weight164.20
Boiling Point230-232°C at 760 mmHg
Melting Point45-47°C
Density1.065
Flash Point219 °F

别名和识别编码

Chemical NameThymoquinone
CAS Number490-91-5
MDL NumberMFCD00001602
Synonym Thymoquinone {LY} Thymoquinone {} {LY} Thymoquinone {} {} {LY} Thymoquinone {} {} {} {LY} Thymoquinone {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Thymoquinone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID10281
EC Number207-721-1
Alfabeta NameISOPROPYLMETHYLBENZOQUINONE 2514-----,
Chemical Name Translation百里醌
Reaxys-RN1939047
Beilstein Registry Number1939047
InChIKeyKEQHJBNSCLWCAE-UHFFFAOYSA-N
Wiswesser Line NotationL6V DVJ B1 EY1&1
LabNetwork Molecule IDLN00183817
InChIInChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
Canonical SMILESO=C1C(C)=CC(C(C(C)C)=C1)=O
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分类

  • {SNA} Hematology and Histology, Stains & Dyes, A to Z, Stains and Dyes, T-U-V
  • {SNA} Cell Biology, Hematology and Histology, Stains & Dyes, A to Z, Stains and Dyes, T-U-V
  • {SNA} Hematology and Histology, Stains & Dyes, A to Z, Stains and Dyes, T-U-V, 细胞生物学
  • {SNA} Stains & Dyes, A to Z, Stains and Dyes, T-U-V, 细胞生物学, 血液学和组织学

相关文献及参考

  • Beilstein: 7,662

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
RTECSGU5330000
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312+P330
  • P301+P317
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P317
  • P337+P317
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服,清洗后方可重新使用
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Warnings IRRITANT
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后,立即用大量水冲洗并征求医生意见;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
Hazard Codes Xn
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 10 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 15,1227,1965

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 20 nmol/plate
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 347,37,1995

Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 不溶于水,溶于氯仿。
  • 3,6-[對]【草(之上)+孟】二烯-2,5-二酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0795 百里醌 Thymoquinone 1G 500元
  • MOL 文件:490-91-5.mol
  • TCI Shanghai:百里醌 Thymoquinone,>;98.0%(GC)(490-91-5)
  • Sigma Aldrich:490-91-5(sigmaaldrich)
  • 图谱信息:3,6-[對]【草(之上)+孟】二烯-2,5-二酮(490-91-5)红外图谱(IR1) 3,6-[對]【草(之上)+孟】二烯-2,5-二酮(490-91-5)核磁图( 13 CNMR) 3,6-[對]【草(之上)+孟】二烯-2,5-二酮(490-91-5)质谱(MS) 3,6-[對]【草(之上)+孟】二烯-2,5-二酮(490-91-5)核磁图( 1 HNMR) 3,6-[對]【草(之上)+孟】二烯-2,5-二酮(490-91-5)红外图谱(IR2)

系列性分类


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