Acetovanillone 4-羟基-3-甲氧基苯乙酮

CAS 498-02-2 MFCD00008747

化学结构图

498-02-2
SMILES: COc1cc(C(C)=O)ccc1O

化学属性

Mol. FormulaC9H10O3
Mol. Weight166.17
Density1.422
Boiling Point297.5°C at 760 mmHg
Melting Point112-115°C
TSCAYes
Solubility溶于热水
Flash Point113°C
Appearance 白色结晶性粉末。

别名和识别编码

Chemical NameAcetovanillone
CAS Number498-02-2
Synonym Apocynin {LY} Apocynin {} {LY} Apocynin {} {} {LY} Apocynin {} {} {} {LY} Apocynin {} {} {} {} {LY} Apocynin {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Apocynin {} {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00008747
EC Number207-854-5
Beilstein Registry Number637373
PubChem Substance ID2214
Merck Number741
Reaxys-RN637373
Chemical Name Translation4-羟基-3-甲氧基苯乙酮
Wiswesser Line Notation1VR DQ CO1
LabNetwork Molecule IDLN00224835
InChIInChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3
Canonical SMILESCC(C1=CC=C(O)C(OC)=C1)=O
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分类

  • Protein Kinase Inhibitors and Activators,
  • {SNA} A - D, A-B, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances, Follows IFRA Guidelines, Halal Certified Products
  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • {SNA} Building Blocks, C9, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {SNA} A-B, Alphabetical Listings, Certified Food Grade Products, Flavors and Fragrances
  • Aromatics
  • {SNA} A-B, Alphabetical Listings, Flavors and Fragrances

产品应用

  • An inhibitor of NADPH oxidase (an enzyme responsible for reactive oxygen species production) and is useful in the treatment of various inflammatory diseases.

相关文献及参考

  • Imnpellizzeri, D. et al.: Biochem. Pharmac., 81, 636 (2011); Genovese, T. et al: Brain Res., 1372;

安全信息

Signal word Warning
GHS Symbol
WGK Germany2
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;
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护;
  • S37 Wear suitable gloves 戴适当手套;
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
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。
  • 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。
  • P302+P350
  • P302+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P332+P313
  • 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
Hazard statements
  • 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
RTECSAM8800000
Hazard Codes Xi
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 650 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 7,178,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 9 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BCTKAG Bromatologia i Chemia Toksykologiczna.  (Ars Polona, POB 1001, 00-068
   Warsaw 1, Poland) V.4-    1971-  Volume(issue)/page/year: 14,301,1981

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Yeast - Saccharomyces cerevisiae
DOSE/DURATION           : 400 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 119,273,1983

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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • 图谱信息:4-羟基-3-甲氧基苯乙酮(498-02-2)核磁图( 1 HNMR) 4-羟基-3-甲氧基苯乙酮(498-02-2)红外图谱(IR2) 4-羟基-3-甲氧基苯乙酮(498-02-2)核磁图( 13 CNMR) 4-羟基-3-甲氧基苯乙酮(498-02-2)红外图谱(IR1) 4-羟基-3-甲氧基苯乙酮(498-02-2)质谱(MS)
  • Acros Organics:乙酰香草酮 Acetovanillone, 98%(498-02-2)
  • 海关编码:29145000
  • 4-羟基-3-甲氧基苯乙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0261 4'-羟基-3'-甲氧基苯乙酮 4'-Hydroxy-3'-methoxyacetophenone 25G 182元 2014/06/02 H0261 4'-羟基-3'-甲氧基苯乙酮 4'-Hydroxy-3'-methoxyacetophenone 500G 1500元 2010/06/21 102421000 4-羟基-3-甲氧基苯乙酮 Acetovanillone 98% 100 GR 772元
  • Alfa Aesar:4'-羟基-3-甲氧基苯乙酮,98% 4'-Hydroxy-3'-methoxyacetophenone, 98%(498-02-2)
  • MSDS 信息:4'-Hydroxy-3'-methoxyacetophenone(498-02-2).msds
  • MOL 文件:498-02-2.mol
  • 下游产品:乙酰丙酮
  • Sigma Aldrich:498-02-2(sigmaaldrich)
  • TCI Shanghai:4'-羟基-3'-甲氧基苯乙酮 4'-Hydroxy-3'-methoxyacetophenone,>;98.0%(GC)(498-02-2)
  • 检测方法:GC,NMR
  • 用途一:用作有机合成中间体

系列性分类


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