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517925

4′-甲基苯丙酮

Name: 4′-甲基苯丙酮
Brand: ALDRICH

90%, technical grade

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关于此项目

线性分子式:

CH₃C₆H₄COC₂H₅

化学文摘社编号:

5337-93-9

分子量:

148.20

NACRES:

NA.22

PubChem Substance ID:

24873986

UNSPSC Code:

12352100

EC Number:

226-267-5

MDL number:

MFCD00009312

Assay:

90%

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属性

grade

technical grade

Quality Level

100

assay

90%

refractive index

n20/D 1.528 (lit.)

bp

238-239 °C (lit.)

density

0.993 g/mL at 25 °C (lit.)

functional group

ketone

SMILES string

CCC(=O)c1ccc(C)cc1

InChI

1S/C10H12O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

InChI key

PATYHUUYADUHQS-UHFFFAOYSA-N

说明

Application

4′-甲基苯丙酮可用作合成以下物质的结构单元：
潜在CRAC 通道抑制剂N

-（4-氯苯基）-N′-[1-（4-甲基苯基）丙基]脲。
单核和三核钴肟/有机钴肟配合物，其可用作合成环状碳酸酯的高效催化剂。
通过与哌啶盐酸盐和1,2-二氧戊环的酸催化反应制备的甲苯哌丙酮（TOL）。

Other Notes

残留物为 3′-甲基苯丙酮

存储类别

10 - Combustible liquids

wgk

WGK 3

flash_point_f

228.2 °F - closed cup

flash_point_c

109.00 °C - closed cup

ppe

Eyeshields, Gloves

历史批次信息供参考:

分析证书(COA)

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TLC-densitometric determination of tolperisone and its impurities 4-methylpropiophenone and piperidine in pharmaceutical preparations

Hubicka U, et al.

Journal of Liquid Chromatography and Related Technologies, 35(10), 1325-1335 (2012)

Ketone synthesized cobaloxime/organocobaloxime catalysts for cyclic carbonate synthesis from CO2 and epoxides: Characterization and electrochemistry

Kilic A, et al.

Journal of Organometallic Chemistry, 767, 150-159 (2014)

Experimental and theoretical investigation of the molecular structure, conformational stability, hyperpolarizability, electrostatic potential, thermodynamic properties and NMR spectra of pharmaceutical important molecule: 4'-methylpropiophenone.

V Karunakaran et al.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 128, 1-14 (2014-03-25)

Combined experimental and theoretical studies have been performed on the structure and vibrational spectra (IR and Raman spectra) of 4'-methylpropiophenone (MPP). The FT-IR and FT-Raman spectra of 4'-methylpropiophenone (MPP) have been recorded in the region 4000-400 cm(-1) and 3500-100 cm(-1)

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全球贸易项目编号

货号	GTIN
517925-100ML	04061832541754