甲基丙烯酸丁酯 - CAS号 97-88-1

物化性质

熔点：

-75 °C
沸点：

162-165 °C (lit.)
密度：

0.894 g/mL at 25 °C (lit.)
蒸气密度：

4.91 (15 °C, vs air)
闪点：

123 °F
溶解度：

0.36克/升
暴露限值：

ACGIH: TWA 5 mg/m3NIOSH: TWA 5 mg/m3
LogP：

3 at 25℃
物理描述：

N-butyl methacrylate appears as a clear colorless liquid. Flash point 130°F. Less dense (7.5 lb / gal) than water and insoluble in water. Hence floats on water. Vapors heavier than air. Used to make resins adhesives, and oil additives.
颜色/状态：

Colorless liquid
气味：

Faint characteristic odor of esters
蒸汽密度：

4.9 (NTP, 1992) (Relative to Air)
蒸汽压力：

2.12 mm Hg at 25 °C
亨利常数：

Henry's Law constant = 4.96X10-4 atm-cu m/mol at 25 °C (est)
自燃温度：

290 °C
分解：

When heated to decomp it emits acrid smoke and irritating fumes.
粘度：

1.02 mm²/s at 24 °C
燃烧热：

-14,800 BTU/lb = -8,230 cal/g = -344X10+5 J/kg (est)
聚合：

Violent polymerization can be caused by heat, moisture, oxidizers.
折光率：

Index of refraction: 1.4240 at 20 °C/D
保留指数：

967 ;964 ;967 ;962 ;960 ;962 ;962 ;962 ;964.6
稳定性/保质期：

1. 本品与甲基丙烯酸甲酯基本相同，但毒性较低。大鼠口服的LD50值为20 mL/kg体重。防护要求与其他情况相同。 2. 稳定性：稳定。 3. 避免与强氧化剂、强酸和强碱等强腐蚀性物质接触。 4. 应避免在受热、光照、紫外线照射以及暴露于空气中的情况下使用。 5. 聚合风险：存在聚合的可能性。

计算性质

辛醇/水分配系数(LogP)：

2.9
重原子数：

10
可旋转键数：

5
环数：

0.0
sp3杂化的碳原子比例：

0.625
拓扑面积：

26.3
氢给体数：

0
氢受体数：

2

ADMET

代谢

n-BMA（丁基甲基丙烯酸酯）与MMA（甲基丙烯酸甲酯）一样，能被体内的羧酸酯酶迅速代谢... n-BMA的水解产生甲基丙烯酸和正丁醇，它们会进一步通过生理途径被代谢，其中甲基丙烯酰辅酶A是缬氨酸途径的生理底物。

n-BMA, like MMA, is rapidly metabolized by body carboxylesterases ... Hydrolysis of n-BMA yields methacrylic acid and n-butanol which are further metabolized by physiological pathways, methacroyl CoA being a physiological substrate of the valine pathway.

来源:Hazardous Substances Data Bank (HSDB)

代谢

丁基甲基丙烯酸酯与细胞色素P450相互作用，形成1型光谱复合物。

Butyl methacrylate interacts with cytochrome P450 to form type 1 spectral complex.

来源:Hazardous Substances Data Bank (HSDB)

代谢

在体外使用猪肝酯酶制剂研究了n-BMA的水解。米氏常数Km和最大反应速度Vmax分别为30微摩尔和1.49纳米摩尔/分钟，表明n-BMA容易被肝酯酶水解。与其他甲基丙烯酸酯相比，酯链长度的增加提高了底物亲和力，但降低了酶促水解的转化率。

In vitro hydrolysis of n-BMA was studied using a porcine liver esterase preparation. The Michaelis Menten constant, Km, and Vmax were on the order of 30 uM and 1.49 nmol/min, indicating that n-BMA is readily hydrolyzed by liver esterases. When compared to other methacrylic acid esters, increased chain length of the ester increased substrate affinity but decreased the turnover of the enzymatic hydrolysis.

来源:Hazardous Substances Data Bank (HSDB)

代谢

丙烯酸酯和甲基丙烯酸酯主要通过迈克尔加成反应或谷胱甘肽-S-转移酶与谷胱甘肽结合而解毒。它们还可能通过羧酸酯酶发生水解。较低分子量的酯类被迅速代谢和排出，因此，不太可能引起累积毒性。

Acrylates and methacrylates are detoxified predominantly via conjugation with glutathione via the Michael addition reaction or glutathione-S-transferase. They are also likely to be hydrolyzed via carboxylesterases. The lower molecular weight esters are rapidly metabolized and eliminated, therefore, will not likely cause cumulative toxicity.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

暴露途径

该物质可以通过吸入被身体吸收。

The substance can be absorbed into the body by inhalation.