2-(Methoxycarbonyl)benzoic acid 邻苯二甲酸单甲酯

CAS 4376-18-5 MFCD00002466

化学结构图

4376-18-5
SMILES: COC(=O)c1ccccc1C(=O)O

化学属性

Mol. FormulaC9H8O4
Mol. Weight180.16
Melting Point82-84°C
TSCANo
Density1.288
Boiling Point328.9°C at 760 mmHg

别名和识别编码

Chemical Name2-(Methoxycarbonyl)benzoic acid
CAS Number4376-18-5
Synonym Monomethyl phthalate {LY} Monomethyl phthalate monomethyl phthalate {} {LY} Monomethyl phthalate {} {} {LY} Monomethyl phthalate {} {} {} {LY} Monomethyl phthalate {} {} {} {} {LY} Monomethyl phthalate {} {} {} {} {} {LY} Monomethyl phthalate {} {} {} {} {} {} {LY} Monomethyl phthalate {} {} {} {} {} {} {} {LY} Monomethyl phthalate {} {} {} {} {} {} {} {} {LY} Monomethyl phthalate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Monomethyl phthalate {} {} {} {} {} {} {} {} {} {} {LY} Monomethyl phthalate {} {} {} {} {} {} {} {} {} {} {} {LY} Monomethyl phthalate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Monomethyl phthalate {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Monomethyl phthalate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Monomethyl phthalate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Monometh
MDL NumberMFCD00002466
PubChem Substance ID20392
Beilstein Registry Number2048766
EC Number224-476-6
Alfabeta NameMETHOXYCARBONYLBENZOICACID 2()-
Chemical Name Translation邻苯二甲酸单甲酯
LabNetwork Molecule IDLN00182337
InChIInChI=1S/C9H8O4/c1-13-9(12)7-5-3-2-4-6(7)8(10)11/h2-5H,1H3,(H,10,11)
Canonical SMILESO=C(C1=CC=CC=C1C(O)=O)OC
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分类

  • {SNA} Allergens, Alpha Sort, Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Aromatics, Chemical Class, Chromatography, Cosmetic Standards, Environmental Standards, Esters, Food & Beverage Standards,

产品应用

  • Phthalate Ester metabolite, linked to precocious puberty.

相关文献及参考

  • Beilstein: 9,IV,3170
  • Blair, J., et al.: Environ., Sci., Technol., 43, 6262 (2009),
  • Engel, S., et al.: NeuroToxicol., 30, 522 (2009),
  • Undergoes a modified Curtius rearrangement via a mixed anhydride. The resulting isocyanate has been cyclized with, e.g. alanine to give chiral quinazoline-2,4-dione derivatives: Heterocycles, 36, 1305 (1993):
  • [1]. Chong Liu, et al. Urinary biomarkers of phthalates exposure and risks of thyroid cancer and benign nodule. J Hazard Mater. 2020 Feb 5;383:121189.

安全信息

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
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
  • 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.....
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
Signal word
Warnings IRRITANT
Hazard Codes Xi
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 {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {

其他信息

  • MOL 文件:4376-18-5.mol
  • 邻苯二甲酸单甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 374881000 邻苯二甲酸单甲酯 mono-Methyl phthalate 98% 100 GR 3364元 2010/06/21 374880250 邻苯二甲酸单甲酯 mono-Methyl phthalate 98% 25 GR 1003元 2010/05/25 A14780 酞酸氢甲酯, 97% Methyl hydrogen phthalate, 97% 250g 7462元
  • 图谱信息:邻苯二甲酸单甲酯(4376-18-5)质谱(MS) 邻苯二甲酸单甲酯(4376-18-5)红外图谱(IR2) 邻苯二甲酸单甲酯(4376-18-5)红外图谱(IR1)
  • Acros Organics:邻苯二甲酸单甲酯 mono-Methyl phthalate, 98%(4376-18-5)
  • Sigma Aldrich:4376-18-5(sigmaaldrich)
  • 下游产品:乙撑双四溴邻苯二甲酰亚胺
  • Alfa Aesar:酞酸氢甲酯,97% Methyl hydrogen phthalate, 97%(4376-18-5)

系列性分类


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