3,4-Dimethoxyphenylacetone 3,4-二甲氧基苯丙酮

CAS 776-99-8 MFCD00008772

化学结构图

776-99-8
SMILES: COc1ccc(CC(C)=O)cc1OC

化学属性

Mol. FormulaC11H14O3
Mol. Weight194.23 g/mol
Density1.115
Refractive index1.5340 to 1.5360
Flash Point>110°(230°F)
TSCANo
Boiling Point167°C/17mmHg(lit.)

别名和识别编码

Chemical Name3,4-Dimethoxyphenylacetone
MDL NumberMFCD00008772
PubChem Substance ID69896
CAS Number776-99-8
EC Number212-285-0
Beilstein Registry Number1107410
Reaxys-RN1107410
Synonym (3,4-Dimethoxyphenyl)acetone 1-(3,4-DIMETHOXYPHENYL)-2-PROPANONE 1-(3,4-Dimethoxyphenyl)-2-propanone 1-(3,4-Dimethoxyphenyl)-Actone 1-(3,4-Dimethoxyphenyl)acetone 1-(3,4-dimethoxyphenyl)-2-propanon 1-(3,4-dimethoxyphenyl)acetone 1-ACETONYL-3,4-DIMETHOXYBENZENE 2-Propanone, 1-(3,4-dimethoxyphenyl)- 3,4-DIMETHOXYPHENYLACETONE 3,4-DIMETHOXYPHENYLACETONE / METHYL VERATRYL KETONE 3,4-DIMETHOXYPHENYLACETONE 97+% 3,4-Dimethoxybenzyl methyl ketone 3,4-Dimethoxyphenylacetone 3,4-dimethoxyphenylacetone {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation3,4-二甲氧基苯丙酮
InChIKeyUMYZWICEDUEWIM-UHFFFAOYSA-N
Wiswesser Line Notation1V1R CO1 DO1
LabNetwork Molecule IDLN00193491
InChIInChI=1S/C11H14O3/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3/h4-5,7H,6H2,1-3H3
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分类

  • Building Blocks, C11 to C12, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks
  • {SNA} Building Blocks, C11 to C12, Carbonyl Compounds, Chemical Synthesis, Ketones, Organic Building Blocks

相关文献及参考

  • FT-IR 2 (2), 2360:C / FT-IR 1 (2), 5:D / FT-NMR 1 (2), 795:C / IR-Spectra (2), 744:B / IR-Spectra (3), 850:G / NMR-Reference 2 (2), 2:C / RegBook 1 (2), 1617:H / Structure Index 1 , 252:D:6 / Vapor Phase 3 , 1226:B

安全信息

WGK Germany3
RTECSUC1795500
Personal Protective Equipment Eyeshields, Gloves
Signal word Warning
GHS Symbol
Safety Statements
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
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。
  • P262 Do not get in eyes, on skin, or on clothing. 不要接触眼睛，皮肤或衣服。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • 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。
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P332+P317
  • P337+P313
  • 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.....
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 670 mg/kg
TOXIC EFFECTS :
   Behavioral - ataxia
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

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

其他信息

  • 上游原料:藜芦醛
  • Sigma Aldrich:776-99-8(sigmaaldrich)
  • 图谱信息:3,4-二甲氧基苯丙酮(776-99-8)核磁图( 1 HNMR) 3,4-二甲氧基苯丙酮(776-99-8)红外图谱(IR1) 3,4-二甲氧基苯丙酮(776-99-8)核磁图( 13 CNMR) 3,4-二甲氧基苯丙酮(776-99-8)质谱(MS)
  • MOL 文件:776-99-8.mol
  • MSDS 信息:3,4-Dimethoxyphenylacetone(776-99-8).msds
  • Acros Organics:3,4-二甲氧基苯丙酮 3,4-Dimethoxyphenylacetone, 97%(776-99-8)
  • 方法一:由藜芦醛（3,4-二甲氧基苯甲醛，[120-14-9]）经缩合、还原、水解而得。
  • 下游产品:甲基多巴
  • TCI Shanghai:or 3,4-二甲氧基苯丙酮 3,4-Dimethoxyphenylacetone,>;97.0%(GC)(776-99-8)
  • 3,4-二甲氧基苯丙酮价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 V0052 3,4-二甲氧基苯丙酮 3,4-Dimethoxyphenylacetone 500ML 6610元 2014/06/02 V0052 3,4-二甲氧基苯丙酮 3,4-Dimethoxyphenylacetone 25ML 719元 2010/06/21 161490100 3,4-二甲氧基苯丙酮 3,4-Dimethoxyphenylacetone 97% 10 GR 400元
  • 用途一:降压药甲基多巴的中间体。
  • Alfa Aesar:3,4-二甲氧基苯基丙酮,97% 3,4-Dimethoxyphenylacetone, 97%(776-99-8)

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. C11 to C12 - 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

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