3-Methoxybenzaldehyde 3-甲氧基苯甲醛

CAS 591-31-1 MFCD00003361

化学结构图

591-31-1
SMILES: COc1cccc(C=O)c1

化学属性

Mol. FormulaC8H8O2
Mol. Weight136.15
Boiling Point230.7°C at 760 mmHg
Refractive index1.5500 to 1.5550
Density1.117
Flash Point121°C
TSCAYes
SolubilitySoluble in ethanol, and ether. Insoluble in water.
Stability对空气敏感
Appearance 无色或淡黄色油状液体。沸点230℃，125℃（4kPa），88-90℃(400Pa），相对密度1.1187(20/4℃），折光率1.5530(20℃)。溶于醇、醚和苯，不溶于水。
pH:A
Melting Point187 °C

别名和识别编码

Chemical Name3-Methoxybenzaldehyde
CAS Number591-31-1
Alfabeta NameMETHOXYBENZALDEHYDE 3-
MDL NumberMFCD00003361
Synonym m-Anisaldehyde {LY} m-Anisaldehyde {} {LY} m-Anisaldehyde {} {} {LY} m-Anisaldehyde {} {} {} {LY} m-Anisaldehyde {} {} {} {} {LY} m-Anisaldehyde {} {} {} {} {} {LY} m-Anisaldehyde {} {} {} {} {} {} {LY} m-Anisaldehyde {} {} {} {} {} {} {} {LY} m-Anisaldehyde {} {} {} {} {} {} {} {} {LY} m-Anisaldehyde {} {} {} {} {} {} {} {} {} {LY} m-Anisaldehyde {} {} {} {} {} {} {} {} {} {} {LY} m-Anisaldehyde {} {} {} {} {} {} {} {} {} {} {} {LY} m-Anisaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {LY} m-Anisaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} m-Anisaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} m-Anisaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} m-Anisaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} m-Anisaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} m-Anisaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} m-Anisaldehyde {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} m-A
PubChem Substance ID87562093
EC Number209-712-8
Beilstein Registry Number606013
Reaxys-RN606013
Chemical Name Translation3-甲氧基苯甲醛
LabNetwork Molecule IDLN00227106
InChIInChI=1S/C8H8O2/c1-10-8-4-2-3-7(5-8)6-9/h2-6H,1H3
Canonical SMILESO=CC1=CC=CC(OC)=C1
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分类

  • Aldehydes, Building Blocks, C8, Carbonyl Compounds, Chemical Synthesis, Organic Building Blocks
  • {SNA} A-B, Alphabetical Listings, Flavors and Fragrances
  • {uni_hamburg} no charge; carbocycle; aromatic; 6RingOnly; 6ring; aldehyde; ether; 1fragment

产品应用

  • 香料，有机中间体。

相关文献及参考

  • Beilstein:8(4)241
  • Lithiation and methylation normally gives a mixture of 2-, 4- and 6-methyl derivatives. Systematic study has found that using PhLi and trimethylethylenediamine increases the degree of 2-lithiation to 96%: J. Org. Chem., 54, 3730 (1989).
  • Short: II/14a
  • Short: II/24B

安全信息

Warnings IRRITANT
GHS Symbol
WGK Germany3
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 Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes Xi
RTECSBZ2605000
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+P352+P332+P313+P362+P364
  • P305+P351+P338
  • P305+P351+P338+P337+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
Signal word Warning
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；
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
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen Air Sensitive {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} 
TYPE OF TEST            : Sister chromatid exchange
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 1 mmol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 206,17,1988

其他信息

  • 可燃性危险特性:可燃; 燃烧产生刺激烟雾
  • 毒性分级:中毒
  • 用途一:用作医药中间体
  • Hazard Note:Irritant
  • 用途二:香料，有机中间体。
  • 类别:易燃液体
  • 方法一:由间羟基苯甲醛和硫酸二甲酯反应得到。
  • 灭火剂:干粉,泡沫,沙土,二氧化碳, 雾状水
  • 图谱信息:3-甲氧基苯甲醛(591-31-1)红外图谱(IR1) 3-甲氧基苯甲醛(591-31-1)核磁图( 1 HNMR) 3-甲氧基苯甲醛(591-31-1)红外图谱(IR2) 3-甲氧基苯甲醛(591-31-1)质谱(MS) 3-甲氧基苯甲醛(591-31-1)核磁图( 13 CNMR)
  • F:9-23
  • 溶于醇、醚和苯，不溶于水。
  • 3-甲氧基苯甲醛价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A0478 间茴香醛 m-Anisaldehyde 500ML 3680元 2014/06/02 A0478 间茴香醛 m-Anisaldehyde 25ML 431元 2010/06/21 156761000 3-甲氧基苯甲醛 m-Anisaldehyde 97% 100 ML 1302元
  • TCI Shanghai:3-甲氧基苯甲醛 m-Anisaldehyde,>;98.0%(GC)(591-31-1)
  • Sigma Aldrich:591-31-1(sigmaaldrich)
  • Alfa Aesar:3-甲氧基苯甲醛,98% 3-Methoxybenzaldehyde, 98%(591-31-1)
  • 急性毒性:参考值: 口服-大鼠 LD50: 2500 毫克/公斤
  • 下游产品:消旋螺环二酚(RAC-1) --> 2-氨基-7-甲氧基四氢萘 --> 3-(3-甲氧基苯基)丙酸 --> N-甲基-3-甲氧基苄胺 --> 3-甲氧基肉桂酸
  • 上游原料:间羟基苯甲醛
  • Acros Organics:间甲氧基苯甲醛 m-Anisaldehyde, 97%(591-31-1)
  • 海关编码:29124900
  • MSDS 信息:m-Anisaldehyde(591-31-1).msds
  • 敏感性:Air Sensitive
  • MOL 文件:591-31-1.mol
  • 储运特性:库房通风低温干燥; 与食品原料分开存放

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. A-B - 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. Aldehydes - Carbonyl Compounds
  6. C8 - Aldehydes
  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 aldehyde<including acetal,hemiacetal>
  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. Aldehydes
  6. C7
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)