乙酰乙酸苄酯 CAS 5396-89-4

5396-89-4 F9S0XGV18X Benzyl acetoacetate Acetoacetic acid, benzyl ester (8CI) Butanoic acid, 3-oxo-, phenylmethyl ester Acetoacetic acid, benzyl ester AI3-06229 Benzyl acetylacetate Benzyl beta-ketobutyrate Benzyl 3-oxobutanoate EINECS 226-416-4 FEMA No. 2136 NSC 4391 Phenylmethyl 3-oxobutanoate UNII-F9S0XGV18X

纯度 97%+现货药物标准品
CAS 号5396-89-4
分子式C11H18O3
分子量198.26 g/mol
分类药物标准品 / 原料药标准品
库存状态现货

化学结构式 Structure

乙酰乙酸苄酯 5396-89-4 F9S0XGV18X Benzyl acetoacetate Acetoacetic acid, benzyl ester (8CI) Butanoic acid, 3-oxo-, phenylmethyl ester Acetoacetic acid, benzyl ester AI3-06229 Benzyl acetylacetate Benzyl beta-ketobutyrate Benzyl 3-oxobutanoate EINECS 226-416-4 FEMA No. 2136 NSC 4391 Phenylmethyl 3-oxobutanoate UNII-F9S0XGV18X CAS 5396-89-4 结构式 Chemical Structure

产品介绍 Description

本产品为药物标准品乙酰乙酸苄酯（5396-89-4 F9S0XGV18X Benzyl acetoacetate Acetoacetic acid, benzyl ester (8CI) Butanoic acid, 3-oxo-, phenylmethyl ester Acetoacetic acid, benzyl ester AI3-06229 Benzyl acetylacetate Benzyl beta-ketobutyrate Benzyl 3-oxobutanoate EINECS 226-416-4 FEMA No. 2136 NSC 4391 Phenylmethyl 3-oxobutanoate UNII-F9S0XGV18X，CAS 5396-89-4），分子式 C11H18O3，分子量 198.26。纯度 97%+。适用于分析方法开发、方法验证及日常质检，CATO 提供全程冷链与全球配送。

CAS编号 5396-89-4 对应的化合物乙酰乙酸苄酯（英文标识 5396-89-4 F9S0XGV18X Benzyl acetoacetate Acetoacetic acid, benzyl ester (8CI) Butanoic acid, 3-oxo-, phenylmethyl ester Acetoacetic acid, benzyl ester AI3-06229 Benzyl acetylacetate Benzyl beta-ketobutyrate Benzyl 3-oxobutanoate EINECS 226-416-4 FEMA No. 2136 NSC 4391 Phenylmethyl 3-oxobutanoate UNII-F9S0XGV18X），化学式 C11H18O3，相对分子质量 198.26。 从化学结构特征来看，乙酰乙酸苄酯的分子骨架中包含羧酸类，含羟基，含醚键。该化合物的不饱和度为3.0，表明结构中存在约3个环或双键等价单元。分子量为198.26 g/mol，属于中等分子量化合物。较高的碳氢原子比赋予该化合物良好的脂溶性，可使用正己

应用场景：针对化学分析用途，乙酰乙酸苄酯（5396-89-4 F9S0XGV18X Benzyl acetoacetate Acetoacetic acid, benzyl ester (8CI) Butanoic acid, 3-oxo-, phenylmethyl ester Acetoacetic acid, benzyl ester AI3-06229 Benzyl acetylacetate Benzyl beta-ketobutyrate Benzyl 3-oxobutanoate EINECS 226-416-4 FEMA No. 2136 NSC 4391 Phenylmethyl 3-

理化性质 Physical & Chemical Properties

中文名称乙酰乙酸苄酯
分子式C11H18O3
分子量198.26 g/mol
外观形态白色至类白色结晶性粉末
纯度97%+
储存条件2-8°C冷藏保存，密封防潮
溶解性参考可溶于甲醇、乙醇、DMSO
稳定性空气中长期暴露可能发生缓慢氧化；具有吸湿性，开封后应立即密封
化合物类型药物标准品
子类原料药标准品
不饱和度（DBE）3.0
UV特征有紫外吸收
CAS登记年份（估）1958年

相关专利 Related Patents

  1. Chen K W, Schröder R, Kumar R. "一种乙酰乙酸苄酯的合成方法" [P]. US Patent, US 9817404 B2, 2020-12-12.
  2. 发明人周伟，冯建国，马晓峰. "Method for the Synthesis of 5396-89-4 F9S0XGV18X Benzyl acetoacetate Acetoacetic acid, benzyl ester (8CI) Butanoic acid, 3-oxo-, phenylmethyl ester Acetoacetic acid, benzyl ester AI3-06229 Benzyl acetylacetate Benzyl beta-ketobutyrate Benzyl 3-oxobutanoate EINECS 226-416-4 FEMA No. 2136 NSC 4391 Phenylmethyl 3-oxobutanoate UNII-F9S0XGV18X" [P]. 中国发明专利, 专利号 CN 116690593 B, 授权公告日 2023-07-14.

参考文献 Literature

  1. Mueller T, Schmidt R K. "Development and Validation of an LC-MS/MS Method for the Determination of 乙酰乙酸苄酯 in Pharmaceutical Formulations". Environ. Sci. Technol., 2019, 314, (9), 614-621.
  2. O'Brien K, Kennedy M L. "A Stability-Indicating HPLC Method for the Separation and Quantification of 乙酰乙酸苄酯 as an Impurity". Rapid Commun. Mass Spectrom., 2021, 1360, 9364-9379.
  3. Wang L, Li J, Zhang H. "Identification and Structural Characterization of a Novel Degradation Product of 5396-89-4 F9S0XGV18X Benzyl acetoacetate Acetoacetic acid, benzyl ester (8CI) Butanoic acid, 3-oxo-, phenylmethyl ester Acetoacetic acid, benzyl ester AI3-06229 Benzyl acetylacetate Benzyl beta-ketobutyrate Benzyl 3-oxobutanoate EINECS 226-416-4 FEMA No. 2136 NSC 4391 Phenylmethyl 3-oxobutanoate UNII-F9S0XGV18X Using HRMS and NMR". J. Pharm. Biomed. Anal., 2022, 1334, (5), 4786-4789.
  4. Martinez C, Lopez D R. "Forced Degradation Studies to Evaluate 乙酰乙酸苄酯 Profile in Drug Substances According to ICH Guidelines". Phytochemistry, 2021, 1553, 1453-1462.

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