4-Methoxyphenylacetone 对甲氧基苯基丙酮

CAS 122-84-9 MFCD00008773

化学结构图

122-84-9
SMILES: COc1ccc(CC(C)=O)cc1

化学属性

Mol. FormulaC10H12O2
Mol. Weight164.20
Density1.067
Boiling Point145°C at 760 mmHg
Refractive index1.5230 to 1.5270
Flash Point102°C
TSCAYes
Melting Point<-15 °C

别名和识别编码

Chemical Name4-Methoxyphenylacetone
CAS Number122-84-9
Alfabeta NameMETHOXYPHENYLACETONE 4-
MDL NumberMFCD00008773
Synonym 4-Methoxyphenylacetone {LY} 4-Methoxyphenylacetone {} {LY} 4-Methoxyphenylacetone {} {} {LY} 4-Methoxyphenylacetone {} {} {} {LY} 4-Methoxyphenylacetone {} {} {} {} {LY} 4-Methoxyphenylacetone {} {} {} {} {} {LY} 4-Methoxyphenylacetone {} {} {} {} {} {} {LY} 4-Methoxyphenylacetone {} {} {} {} {} {} {} {LY} 4-Methoxyphenylacetone {} {} {} {} {} {} {} {} {LY} 4-Methoxyphenylacetone {} {} {} {} {} {} {} {} {} {LY} 4-Methoxyphenylacetone {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxyphenylacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxyphenylacetone {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxyphenylacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxyphenylacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxyphenylacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxyphenylacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Methoxyp
Beilstein Registry Number2044332
PubChem Substance ID31231
EC Number204-578-7
Reaxys-RN2044332
Chemical Name Translation对甲氧基苯基丙酮
Wiswesser Line Notation1V1R DO1
LabNetwork Molecule IDLN00175026
InChIInChI=1S/C10H12O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6H,7H2,1-2H3
Canonical SMILESCC(CC1=CC=C(OC)C=C1)=O
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分类

  • {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
  • {SA} Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • Building Blocks, C10, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {SNA} A-D, Alphabetical Listings, Flavors and Fragrances, Kosher Certified Products, M-N
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ketone; ether; 1fragment
  • {SNA} Alphabetical Listings, Flavors and Fragrances, I-N, Kosher Certified Products, M-N

产品应用

  • A volatile compound released by flowering plants to attractant insects

相关文献及参考

  • Short: III/38B
  • Guerrini, A., et al.: J. Agric. Food Chem., 54, 7778 (2006),
  • Iwasaki, A., et al.: App. Microbiol. Biotechnol., 69, 499 (2006),
  • Beilstein:8,106
  • Short: III/35C1

安全信息

Warnings IRRITANT
WGK Germany2
RTECSUC2990000
Personal Protective Equipment Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US) Eyeshields, Gloves
Signal word
Hazard statements
  • H303 May be harmfully swallowed 吞食可能有害
Precautionary statements
  • P332+P313
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
Safety Statements
GHS Symbol
Hazard Codes Xi
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 560 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - tremor
   Behavioral - changes in motor activity (specific assay)
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 60,799,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Administration onto the skin
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : >5 gm/kg
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: 17,857,1979

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 3330 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - tremor
   Behavioral - changes in motor activity (specific assay)
REFERENCE :
   FCTXAV Food and Cosmetics Toxicology.  (London, UK)  V.1-19, 1963-81.  For
   publisher information, see FCTOD7.  Volume(issue)/page/year: 17,857,1979

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

其他信息

  • FEMA:2674
  • 用途一:医药中间体。
  • 毒性分级:中毒
  • 刺激数据:皮肤-兔子 500 毫克/24小时 轻度
  • MSDS 信息:4-Methoxyphenylacetone(122-84-9).msds
  • Hazard Note:Irritant
  • 可燃性危险特性:易燃; 燃烧产生刺激烟雾
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 使用限量:FEMA(mg/kg)：饮料0.60～2.8；冷饮1.2～2.8；糖果和焙烤制品4.4～6.0。 适量为限(FDA，§172．515，2001)。
  • 海关编码:29145000
  • 类别:易燃液体
  • Sigma Aldrich:122-84-9(sigmaaldrich)
  • Alfa Aesar:4-甲氧基苯乙酮,98% 4-Methoxyphenylacetone, 98%(122-84-9)
  • 参考质量标准:FAO/WHO，2001 含量(GT-10-4) ≥97% 折射率(n D 20 ) 1.520～1.530 相对密度(d 25 25 ) 1.067～1.073
  • 储运特性:库房通风低温干燥
  • 图谱信息:对甲氧基苯基丙酮(122-84-9)质谱(MS) 对甲氧基苯基丙酮(122-84-9)核磁图( 13 CNMR) 对甲氧基苯基丙酮(122-84-9)核磁图( 1 HNMR) 对甲氧基苯基丙酮(122-84-9)红外图谱(IR1)
  • Acros Organics:4-甲氧基苯丙酮 4-Methoxyphenylacetone, 98+%(122-84-9)
  • MOL 文件:122-84-9.mol
  • 急性毒性:口服-大鼠 LD50: 3330 毫克/公斤; 腹腔-小鼠 LD50: 560 毫克/公斤
  • TCI Shanghai:4-甲氧苯基丙酮 4-Methoxyphenylacetone,>;97.0%(GC)(122-84-9)
  • 对甲氧基苯基丙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M0675 4-甲氧苯基丙酮 4-Methoxyphenylacetone 25ML 479元 2010/06/21 189800050 对甲氧基苯基丙酮 4-Methoxyphenylacetone 98+% 5 GR 312元 2010/06/21 189800500 对甲氧基苯基丙酮 4-Methoxyphenylacetone 98+% 50 GR 1673元
  • 毒性:GRAS(FEMA)。

系列性分类

  1. Application Areas 应用领域分类
  2. Flavors and Fragrances 香精香料
  3. Alphabetical Listings - Flavors and Fragrances
  4. M-N - Alphabetical Listings
  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. C10 - 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

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