1,2-Dimethoxybenzene 1,2-二甲氧基苯

CAS 91-16-7 MFCD00008357

化学结构图

91-16-7
SMILES: COc1ccccc1OC

化学属性

Mol. FormulaC8H10O2
Mol. Weight138.16
Density1.084
Refractive indexn20/D 1.533(lit.)
Boiling Point206.3°C at 760 mmHg
Melting Point15°C
Flash Point72°C
TSCAYes

别名和识别编码

Chemical Name1,2-Dimethoxybenzene
CAS Number91-16-7
Alfabeta NameDIMETHOXYBENZENE 12-,
MDL NumberMFCD00008357
EC Number202-045-3
Beilstein Registry Number1364621
Synonym Veratrole {LY} Veratrole {} {LY} Veratrole {} {} {LY} Veratrole {} {} {} {LY} Veratrole {} {} {} {} {LY} Veratrole {} {} {} {} {} {LY} Veratrole {} {} {} {} {} {} {LY} Veratrole {} {} {} {} {} {} {} {LY} Veratrole {} {} {} {} {} {} {} {} {LY} Veratrole {} {} {} {} {} {} {} {} {} {LY} Veratrole {} {} {} {} {} {} {} {} {} {} {LY} Veratrole {} {} {} {} {} {} {} {} {} {} {} {LY} Veratrole {} {} {} {} {} {} {} {} {} {} {} {} {LY} Veratrole {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Veratrole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Veratrole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Veratrole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Veratrole {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Veratrole {} {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID7043
Merck Number9956
Reaxys-RN1364621
Chemical Name Translation1,2-二甲氧基苯
Wiswesser Line Notation1OR BO1
LabNetwork Molecule IDLN00174022
InChIInChI=1S/C8H10O2/c1-9-7-5-3-4-6-8(7)10-2/h3-6H,1-2H3
Canonical SMILESCOC1=CC=CC=C1OC
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分类

  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; ether; 1fragment
  • {SNA} Alphabetical Listings, C-D, Certified Food Grade Products, Flavors and Fragrances, Follows IFRA Guidelines
  • {SNA} A - D, Alphabetical Listings, C-D, Certified Food Grade Products, Flavors and Fragrances, Follows IFRA Guidelines, Food Safe Elite,

产品应用

  • 用作有机合成中间体,医药工业用于合成延胡索乙素、异搏定等。该品也是检定血液中乳酸、测定甘油的试剂。

相关文献及参考

  • Short: II/27B
  • In contrast to 1,3-Dimethoxybenzene, A13380, direct dilithiation with n-BuLi + TMEDA is feasible, giving, after reaction with TMS chloride, the 3,6-disilyl derivative as the major product in 50-60% yield: J. Org. Chem., 49, 4657 (1984).
  • Merck: 14,9956
  • Merck: 14,9956 Beilstein:6(4)5564
  • Short: III/35D2

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany1
Safety Statements
Risk Statements
  • 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
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R22 Harmful if swallowed 吞咽有害
Precautionary statements
  • P301+P312+P330
  • 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。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
Hazard statements
  • H302 Harmful if swallowed 吞食有害
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSCZ6475000
Hazard Codes Xn
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 - rat
DOSE/DURATION           : 890 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 26(2),54,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 700 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GTPZAB Gigiena Truda i Professional'nye Zabolevaniya.  Labor Hygiene and
   Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR)
   V.1-36, 1957-1992. For publisher information, see MTPEEI
   Volume(issue)/page/year: 26(2),54,1982

其他信息

  • Sigma Aldrich:91-16-7(sigmaaldrich)
  • FEMA:3799
  • 用途二:1,2-苯二甲醚(1,2-二甲氧基苯)是杀菌剂烯酰吗啉、氟吗啉的中间体。
  • 上游原料:石油醚 --> 邻苯二酚 --> 氯甲烷 --> 愈创木酚
  • 方法二:由愈创木酚或邻苯二酚经甲基化而得。
  • 储运特性:库房通风低温干燥
  • 方法一:其制备方法是将邻苯二酚与氢氧化钠混合后,在搅拌下加入硫酸二甲酯,在温度30℃进行烷基反应,然后经分离,洗涤,蒸馏得成品。 也可以用邻苯二酚先与40%氢氧化钠作用生成钠盐,然后在一定压力下与氯甲烷反应而得成品。
  • Acros Organics:藜芦醚 Veratrole, 99+%(91-16-7)
  • 食品添加剂最大允许使用量最大允许残留量标准:添加剂中文名称 允许使用该种添加剂的食品中文名称 添加剂功能 最大允许使用量(g/kg) 最大允许残留量(g/kg) 1,2-二甲氧基苯 食品 食品用香料 用于配制香精的各香料成分不得超过在GB 2760中的最大允许使用量和最大允许残留量
  • 毒性分级:中毒
  • 类别:易燃液体
  • 灭火剂:干粉、泡沫、砂土、水
  • 外观性质:无色液体或结晶。溶于乙醇、乙醚和脂肪油,微溶于水。低毒,半数致死量(大鼠,经口)1360mg/kg。密度:1.084熔点:22-23℃沸点:206-207℃折光率:1.5827闪点:87℃
  • MSDS 信息:1,2-Dimethoxybenzene(91-16-7).msds
  • 邻苯二甲醚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010268 邻苯二甲醚 250ml 200元 2011/04/16 D0627 1,2-二甲氧基苯 1,2-Dimethoxybenzene 500G 814元 2011/04/16 D0627 1,2-二甲氧基苯 1,2-Dimethoxybenzene 25G 150元
  • 海关编码:29093090
  • 可燃性危险特性:易燃; 燃烧产生刺激烟雾
  • TCI Shanghai:1,2-二甲氧基苯 1,2-Dimethoxybenzene,>;99.0%(GC)(91-16-7)
  • 急性毒性:口服- 大鼠 LD50: 890 毫克/ 公斤; 口服- 小鼠 LD50: 700 毫克/ 公斤
  • 图谱信息:邻苯二甲醚(91-16-7)Raman光谱 邻苯二甲醚(91-16-7)红外图谱(IR1) 邻苯二甲醚(91-16-7)核磁图( 1 HNMR) 邻苯二甲醚(91-16-7)红外图谱(IR2) 邻苯二甲醚(91-16-7)质谱(MS) 邻苯二甲醚(91-16-7)核磁图( 13 CNMR)
  • 溶于乙醇、乙醚和脂肪油,微溶于水。低毒,半数致死量(大鼠,经口)1360mg/kg。
  • 用途一:用作有机合成中间体,医药工业用于合成延胡索乙素、异博定,也是检定血液中乳酸、测定甘油的试剂
  • 用途三:用作有机合成中间体,医药工业用于合成延胡索乙素、异搏定等。该品也是检定血液中乳酸、测定甘油的试剂。
  • Alfa Aesar:藜芦醚,99% Veratrole, 99%(91-16-7)
  • MOL 文件:91-16-7.mol
  • 下游产品:6,7-二甲氧基-3-甲基-1,2,3,4-四氢异喹啉盐酸盐 --> 3-甲基-2-(3,4-二甲氧基苯基)丁腈 --> 2,3-二甲氧基苯硼酸 --> 3,4-二甲氧基苯乙腈 --> 4-氯-3′,4′-二甲氧基二苯酮

系列性分类