Methyl 3-hydroxy-4-methoxybenzoate 3-羟基-4-甲氧基苯甲酸甲酯

CAS 6702-50-7 MFCD01321262

化学结构图

6702-50-7
SMILES: COC(=O)c1ccc(OC)c(O)c1

化学属性

Mol. FormulaC9H10O4
Mol. Weight182.17
Melting Point64-67°C
Boiling Point327.7°C at 760 mmHg

别名和识别编码

Chemical NameMethyl 3-Hydroxy-4-Methoxybenzoate
CAS Number6702-50-7
Alfabeta NameMETHYLHYDROXYMETHOXYBENZENECARBOXYLATE 34---
MDL NumberMFCD01321262
PubChem Substance ID4056967
Synonym Methyl isovanillate {LY} Methyl isovanillate {} {LY} Methyl isovanillate {} {} {LY} Methyl isovanillate {} {} {} {LY} Methyl isovanillate {} {} {} {} {LY} Methyl isovanillate {} {} {} {} {} {LY} Methyl isovanillate {} {} {} {} {} {} {LY} Methyl isovanillate {} {} {} {} {} {} {} {LY} Methyl isovanillate {} {} {} {} {} {} {} {} {LY} Methyl isovanillate {} {} {} {} {} {} {} {} {} {LY} Methyl isovanillate {} {} {} {} {} {} {} {} {} {} {LY} Methyl isovanillate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl isovanillate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl isovanillate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl isovanillate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl isovanillate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl isovanillate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl isovanillate {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation3-羟基-4-甲氧基苯甲酸甲酯
Reaxys-RN2097394
LabNetwork Molecule IDLN00149703
InChIInChI=1S/C9H10O4/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5,10H,1-2H3
Canonical SMILESCOC1=C(O)C=C(C(OC)=O)C=C1
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分类

  • {KO} ArylOHs
  • {SNA} Building Blocks, C8 to C9, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {KO} Esters

安全信息

Warnings IRRITANT
WGK Germany3
GHS Symbol
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。
  • 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+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。
  • 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.....
Signal word Warning
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
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
  • 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;
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 {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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 5
Y
H-bond Acceptors
4
Rotatable Bonds
3
H-bond Donors
1
LogP
1

系列性分类


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