2′-Hydroxy-4′-methoxyacetophenone 2′-羟基-4′-甲氧基苯乙酮

CAS 552-41-0 MFCD00008730

化学结构图

552-41-0
SMILES: COc1ccc(C(C)=O)c(O)c1

化学属性

Mol. FormulaC9H10O3
Mol. Weight166.17
Density1.158
Melting Point48-50°C
Flash Point>110°(230°F)
TSCANo
Boiling Point301.9°C at 760 mmHg

别名和识别编码

Chemical Name2′-Hydroxy-4′-methoxyacetophenone
Synonym Paeonol {LY} Paeonol {} {LY} Paeonol {} {} {LY} Paeonol {} {} {} {LY} Paeonol {} {} {} {} {LY} Paeonol {} {} {} {} {} {} {} {} {} {} {LY} Paeonol {} {} {} {} {} {} {LY} Paeonol {} {} {} {} {} {} {} {LY} Paeonol {} {} {} {} {} {} {} {} {LY} Paeonol {} {} {} {} {} {} {} {} {} {LY} Paeonol {} {} {} {} {} {} {} {} {} {} {LY} Paeonol {} {} {} {} {} {} {} {} {} {} {} {LY} Paeonol {} {} {} {} {} {} {} {} {} {} {} {} {LY} Paeonol {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Paeonol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Paeonol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Paeonol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Paeonol {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
CAS Number552-41-0
EC Number209-012-2
Beilstein Registry Number8,267
MDL NumberMFCD00008730
PubChem Substance ID87571152
Chemical Name Translation2′-羟基-4′-甲氧基苯乙酮
Reaxys-RN1282794
LabNetwork Molecule IDLN00213770
Canonical SMILESCC(C1=CC=C(OC)C=C1O)=O
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分类

  • {SNA} Building Blocks, C9, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks, Phytochemicals in Herbal Medicine or Traditional Chinese Medicine (TCM), 细胞生物学, 营养研究
  • {SNA} Building Blocks, C9, Carbonyl Compounds, Chemical Synthesis, Ketones, Nutrition Research, Organic Building Blocks, Phytochemicals in Herbal Medicine or Traditional Chinese Medicine (TCM), 细胞生物学
  • {SNA} Building Blocks, C9, Carbonyl Compounds, Cell Biology, Chemical Synthesis, Ketones, Nutrition Research, Organic Bui

相关文献及参考

  • Short: III/35C3
  • Short: III/35D4
  • Beilstein:8,267

安全信息

Signal word
GHS Symbol
WGK Germany3
Safety Statements
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R20/21/22 Harmful by inhalation, in contact with skin and if swallowed 吸入、皮肤接触和不慎吞咽有害
Precautionary statements
  • 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。
  • 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
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P332+P313
  • P301+P312+P330
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
  • 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。
  • P302+P350
  • P337+P313
  • P305+P351+P338+P337+P313
  • P302+P352+P332+P313+P362+P364
Hazard statements
  • H302 Harmful if swallowed 吞食有害
  • H332 Harmful if inhaled 吸入有害
  • H315 Causes skin irritation 会刺激皮肤
  • H312 Harmful in contact with skin 皮肤接触有害
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H319 Causes serious eye irritation 严重刺激眼睛
RTECSRT1215000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xn Xn,Xi
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 490 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NYKZAU Nippon Yakurigaku Zasshi.  Japanese Journal of Pharmacology. (Nippon
   Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho,
   Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40-    1944- Volume(issue)/page/year:
   49,84,1953

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 196 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
   YKKZAJ Yakugaku Zasshi.  Journal of Pharmacy.  (Nippon Yakugakkai, 2-12-15
   Shibuya, Shibuya-ku, Tokyo 150, Japan)  No.1-    1881-
   Volume(issue)/page/year: 89,1205,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 781 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
   YKKZAJ Yakugaku Zasshi.  Journal of Pharmacy.  (Nippon Yakugakkai, 2-12-15
   Shibuya, Shibuya-ku, Tokyo 150, Japan)  No.1-    1881-
   Volume(issue)/page/year: 89,1205,1969

其他信息

  • MOL 文件:552-41-0.mol
  • Alfa Aesar:2'-羟基-4'-甲氧基苯乙酮,99% 2'-Hydroxy-4'-methoxyacetophenone, 99%(552-41-0)
  • Sigma Aldrich:552-41-0(sigmaaldrich)
  • 外观性质:无色针状结晶（乙醇），稍溶于水，能随水蒸汽挥发，溶于乙醇、乙醚、丙酮、苯、氯仿及二硫化碳。熔点: 47-50 °C
  • 用途一:用作祛风湿药，具有抗炎、镇痛的作用
  • 图谱信息:丹皮酚(552-41-0)核磁图( 13 CNMR) 丹皮酚(552-41-0)质谱(MS) 丹皮酚(552-41-0)Raman光谱 丹皮酚(552-41-0)核磁图( 1 HNMR) 丹皮酚(552-41-0)红外图谱(IR1) 丹皮酚(552-41-0)红外图谱(IR2)
  • Hazard Note:Irritant
  • 丹皮酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0789 2'-羟基-4'-甲氧基苯乙酮 2'-Hydroxy-4'-methoxyacetophenone 5G 514元 2014/06/02 H0789 2'-羟基-4'-甲氧基苯乙酮 2'-Hydroxy-4'-methoxyacetophenone 25G 1530元 2010/06/21 121330500 丹皮酚 2'-Hydroxy-4'-methoxyacetophenone 99% 50 GR 3310元
  • Acros Organics:2'-羟基-4'-甲氧基苯乙酮 2'-Hydroxy-4'-methoxyacetophenone, 99%(552-41-0)
  • 用途二:祛风、镇痛
  • 稍溶于水，能随水蒸汽挥发，溶于乙醇、乙醚、丙酮、苯、氯仿及二硫化碳。
  • TCI Shanghai:2'-羟基-4'-甲氧基苯乙酮 2'-Hydroxy-4'-methoxyacetophenone,>;98.0%(GC)(552-41-0)
  • MSDS 信息:Paeonol(552-41-0).msds

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones - Carbonyl Compounds
  6. C9 - Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Aromatic Ketones
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Ketones 酮
  6. C7 to C8

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