Methyl 3-methoxy-4-methylbenzoate 3-甲氧基-4-甲基苯甲酸甲酯

CAS 3556-83-0 MFCD00082710

化学结构图

3556-83-0
SMILES: COC(=O)c1ccc(C)c(OC)c1

化学属性

Mol. FormulaC10H12O3
Mol. Weight180.20
Melting Point50-54°C
Refractive index1.5295
Flash Point110°C
TSCANo
Boiling Point119-120 °C at 1 mmHg
Density1.422

别名和识别编码

Chemical Namemethyl 3-methoxy-4-methylbenzoate
Alfabeta NameMETHYLMETHOXYMETHYLBENZOATE 34---
MDL NumberMFCD00082710
CAS Number3556-83-0
Synonym Methyl 3-methoxy-4-methylbenzoate {LY} Methyl 3-methoxy-4-methylbenzoate {} {LY} Methyl 3-methoxy-4-methylbenzoate {} {} {LY} Methyl 3-methoxy-4-methylbenzoate {} {} {} {LY} Methyl 3-methoxy-4-methylbenzoate {} {} {} {} {LY} Methyl 3-methoxy-4-methylbenzoate {} {} {} {} {} {LY} Methyl 3-methoxy-4-methylbenzoate {} {} {} {} {} {} {LY} Methyl 3-methoxy-4-methylbenzoate {} {} {} {} {} {} {} {LY} Methyl 3-methoxy-4-methylbenzoate {} {} {} {} {} {} {} {} {LY} Methyl 3-methoxy-4-methylbenzoate {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methoxy-4-methylbenzoate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methoxy-4-methylbenzoate {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methoxy-4-methylbenzoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methoxy-4-methylbenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methoxy-4-methylbenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-methoxy-4-methylbenzoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
EC Number000-000-0
Beilstein Registry Number1948339
PubChem Substance ID591123
Reaxys-RN1948339
Chemical Name Translation3-甲氧基-4-甲基苯甲酸甲酯
LabNetwork Molecule IDLN00010295
InChIInChI=1S/C10H12O3/c1-7-4-5-8(10(11)13-3)6-9(7)12-2/h4-6H,1-3H3
Canonical SMILESC1=C(C(=CC=C1C(OC)=O)C)OC
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分类

  • {KO} Esters
  • {SNA} Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

安全信息

Warnings IRRITANT
WGK Germany1
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+P352
  • P304+P340
  • P305+P351+P338
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P317
  • P337+P317
  • 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
  • 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；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
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 Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
3
Rotatable Bonds
3
H-bond Donors
0
LogP
1

其他信息

  • 3-甲氧基-4-甲基苯甲酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 M1427 3-甲氧基-4-甲基苯甲酸甲酯 Methyl 3-Methoxy-4-methylbenzoate 5G 753元 2014/06/02 M1427 3-甲氧基-4-甲基苯甲酸甲酯 Methyl 3-Methoxy-4-methylbenzoate 25G 1950元 2010/05/25 B22695 3-甲氧基-4-甲基苯甲酸甲酯, 98% Methyl 3-methoxy-4-methylbenzoate, 98% 25g 8134元
  • Alfa Aesar:3-甲氧基-4-甲基苯甲酸甲酯,98% Methyl 3-methoxy-4-methylbenzoate, 98%(3556-83-0)
  • MOL 文件:3556-83-0.mol
  • TCI Shanghai:4-甲基-3-甲氧基苯甲酯 Methyl 3-Methoxy-4-methylbenzoate,>;98.0%(GC)(3556-83-0)
  • Sigma Aldrich:3556-83-0(sigmaaldrich)

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. Esters - Carbonyl Compounds
  6. C10 to C11 - Esters

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