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 1,2-benzenedicarboxylic acid monomethyl ester 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} Monomethyl phthalate {} {} {} {} {} {} {} {} {} {} {}
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

  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Reagents
  3. Potable- & Waste-Water Testing - Analytical Reagents
  4. Replacement Kit Items - Potable- & Waste-Water Testing
  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
  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. C8 to C9 - Esters
  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. C8 to C9 - Esters
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. M - Alphabetic
  5. META - METH - M
  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
  6. C6 to C7
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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