3-Hydroxy-4-methoxybenzoic Acid 3-羟基-4-甲氧基苯甲酸

CAS 645-08-9 MFCD00002507

化学结构图

645-08-9
SMILES: COc1ccc(C(=O)O)cc1O

化学属性

Mol. FormulaC8H8O4
Mol. Weight168.15
Density1.351
Melting Point250-253°C
TSCANo
Appearance 淡灰色结晶粉末。熔点250-253℃。
Boiling Point344.3°C at 760 mmHg

别名和识别编码

Chemical Name3-Hydroxy-4-methoxybenzoic Acid
CAS Number645-08-9
Alfabeta NameHYDROXYMETHOXYBENZOICACID 34---
MDL NumberMFCD00002507
EC Number211-430-5
Beilstein Registry Number10,393
Synonym Isovanillic acid {LY} Isovanillic acid {} {LY} Isovanillic acid {} {} {LY} Isovanillic acid {} {} {} {LY} Isovanillic acid {} {} {} {} {LY} Isovanillic acid {} {} {} {} {} {LY} Isovanillic acid {} {} {} {} {} {} { {} {} {} {} {} {} {LY} Isovanillic acid {} {} {} {} {} {} {} {LY} Isovanillic acid {} {} {} {} {} {} {} {} {LY} Isovanillic acid {} {} {} {} {} {} {} {} {} {LY} Isovanillic acid {} {} {} {} {} {} {} {} {} {} {LY} Isovanillic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isovanillic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isovanillic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isovanillic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isovanillic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isovanillic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Isovanillic acid {} {} {} {} {} {} {} {} {} {} {} {}
PubChem Substance ID87571655
Chemical Name Translation3-羟基-4-甲氧基苯甲酸
Reaxys-RN2208365
Wiswesser Line NotationQVR CQ DO1
InChIKeyLBKFGYZQBSGRHY-UHFFFAOYSA-N
LabNetwork Molecule IDLN00221064
InChIInChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)
Canonical SMILESO=C(O)C1=CC=C(OC)C(O)=C1
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分类

  • {SNA} Building Blocks, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Organic Building Blocks

产品应用

  • 用于有机合成。

相关文献及参考

  • Beilstein:10,393

安全信息

Warnings IRRITANT
Signal word
GHS Symbol
WGK Germany3
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
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。
  • 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+P350
  • P302+P352
  • P302+P352+P332+P313+P362+P364
  • P304+P340
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • 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。
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P332+P313
  • 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
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
RTECSBZ4850000
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
Hazard Codes Xi
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 2974 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   COREAF Comptes Rendus Hebdomadaires des Seances, Academie des Sciences.
   (Paris, France)  V.1-261, 1835-1965.  For publisher information, see CRASEV.
    Volume(issue)/page/year: 243,609,1956

Storage condition 2-8°C, sealed storage, away from moisture {LY} 2-8°C, sealed storage, away from moisture {} {LY} 2-8°C, sealed storage, away from moisture {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {}

其他信息

  • 3-羟基-4-甲氧基苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 xw010368 3-羟基-4-甲氧基苯甲酸 25g 428元 2011/04/16 I0295 异香草酸 Isovanillic Acid 25G 1310元 2011/04/16 I0295 异香草酸 Isovanillic Acid 10G 648元
  • 图谱信息:3-羟基-4-甲氧基苯甲酸(645-08-9)红外图谱(IR1) 3-羟基-4-甲氧基苯甲酸(645-08-9)核磁图( 13 CNMR) 3-羟基-4-甲氧基苯甲酸(645-08-9)质谱(MS) 3-羟基-4-甲氧基苯甲酸(645-08-9)红外图谱(IR2) 3-羟基-4-甲氧基苯甲酸(645-08-9)核磁图( 1 HNMR)
  • 易溶于乙醇、乙醚,难溶于水。有升华性。
  • Acros Organics:3-Hydroxy-4-methoxybenzoic acid, 99%(645-08-9)
  • Sigma Aldrich:645-08-9(sigmaaldrich)
  • MSDS 信息:3-Hydroxy-4-methoxybenzoic acid(645-08-9).msds
  • TCI Shanghai:异香草酸 Isovanillic Acid,>;98.0%(T)(645-08-9)
  • MOL 文件:645-08-9.mol
  • Alfa Aesar:3-羟基-4-甲氧基苯甲酸,99% 3-Hydroxy-4-methoxybenzoic acid, 97+%(645-08-9)

系列性分类


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