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Key Documents

108057

Sigma-Aldrich

苯乙酸甲酯

ReagentPlus®, ≥99%

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About This Item

線性公式:
C6H5CH2CO2CH3
CAS號碼:
分子量::
150.17
Beilstein:
878795
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

產品線

ReagentPlus®

化驗

≥99%

折射率

n20/D 1.503 (lit.)

bp

218 °C (lit.)

密度

1.066 g/mL at 20 °C (lit.)

SMILES 字串

COC(=O)Cc1ccccc1

InChI

1S/C9H10O2/c1-11-9(10)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3

InChI 密鑰

CRZQGDNQQAALAY-UHFFFAOYSA-N

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應用

苯乙酸甲酯用作分配系数测量实验的模型化合物

生化/生理作用

苯乙酸甲酯在甲醇中光解后会分解。苯基乙酸甲酯用作酰化剂,且会引起 β-内酰胺中间体的对映选择性酰化(使用青霉素 G 酰胺酶)。苯乙酸甲酯是合成香料生产中的原料。

法律資訊

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

儲存類別代碼

10 - Combustible liquids

水污染物質分類(WGK)

WGK 1

閃點(°F)

211.1 °F - closed cup

閃點(°C)

99.5 °C - closed cup

個人防護裝備

Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)


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The ability to predict drug solubility and partitioning in triglyceride solvents from the chemical structures of the solute and the triglyceride would be highly useful in drug formulation development and in screening drug candidates for lipid solubility and possibly drug
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