丙醛 - CAS号 123-38-6

物化性质

熔点：

-81 °C (lit.)
沸点：

46-50 °C (lit.)
密度：

0.805 g/mL at 25 °C (lit.)
蒸气密度：

2 (vs air)
闪点：

−16 °F
溶解度：

溶于氯仿；与醇和醚混溶
暴露限值：

ACGIH: TWA 20 ppm
介电常数：

18.9（17℃）
LogP：

0.59 at 25℃
物理描述：

Propionaldehyde appears as a clear colorless liquid with an overpowering fruity-like odor. Less dense than water. Flash point 15°F. Vapors are heavier than air.
颜色/状态：

Liquid
气味：

SUFFOCATING, FRUITY
蒸汽密度：

1.8 at 100 °F (Air = 1)
蒸汽压力：

317 mm Hg at 25 °C
亨利常数：

7.34e-05 atm-m3/mole
大气OH速率常数：

1.96e-11 cm3/molecule*sec
自燃温度：

405 °F (207 °C)
分解：

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

0.3167 cP at 26.7 °C
燃烧热：

1822.7 kJ/mol at 25 °C (liquid)
汽化热：

29.62 kJ/mol at 25 °C
表面张力：

23.4 dynes/cm = 0.0234 N/m at 20 °C
聚合：

Polymerization may occur in presence of acids or caustics.
气味阈值：

1 ppm.
折光率：

Index of refraction: 1.36460 at 19 °C/D; 1.3695 at 16.6 °C/580 nm
保留指数：

472;468;472.71;472.74;473.04;473.1;473.3;473.5;473.63;473.7;473;473;473;474;480;479;475;460;473;477.5;473;480;464;479;464;461;480
稳定性/保质期：

1. 化学性质：和其他醛类一样，在温和条件下，甚至不需要加热或催化剂的作用，就能与其他化合物发生反应。 2. 稳定性：稳定。 3. 禁配物：强氧化剂、强碱、强还原剂、氧。 4. 应避免接触的条件：受热、接触空气。 5. 聚合危害：可能发生聚合。

计算性质

辛醇/水分配系数(LogP)：

0.6
重原子数：

4
可旋转键数：

1
环数：

0.0
sp3杂化的碳原子比例：

0.666
拓扑面积：

17.1
氢给体数：

0
氢受体数：

1

ADMET

代谢

醛类的解毒可以通过氧化成易于代谢的酸、还原成醇以及与巯基基团反应，特别是与谷胱甘肽反应来进行。在耗尽谷胱甘肽水平或导致醛脱氢酶（例如，Antabuse治疗）抑制的条件下，醛类毒性的急性和慢性效应可能会更充分地表达。

Detoxification of aldehydes can proceed by oxidation to readily metabolized acids, by reduction to alcohols, and by reaction with sulfhydryl groups, particularly glutathione. Under conditions that deplete glutathione levels or result in an inhibition of aldehyde dehydrogenase (eg, Antabuse treatment), the acute and chronic effects of aldehyde toxicity might be more fully expressed.

来源:Hazardous Substances Data Bank (HSDB)

代谢

线粒体使用氧气作为电子受体，将各种醛氧化成酸。短链醛促进的氧气消耗速率的相对顺序是：丙醛大于乙醛大于甲醛。... 线粒体中也可以观察到醛的NAD依赖性脱氢作用。大鼠肝脏细胞溶质含有两种醛脱氢酶（乙醛：NAD氧化还原酶，EC 1.2.1.3）... 这些酶在它们对乙醛、丙醛、丁醛和3-二甲基氨基-2,2-二甲基丙醛的底物特异性上有所不同。马肝醛脱氢酶... 能够氧化... 丙醛...。

Mitochondria oxidize a variety of aldehydes to acids using oxygen as electron acceptor. Relative rates of oxygen consumption promoted by short-chain aldehydes lie in order: propionaldehyde greater than acetaldehyde greater than formaldehyde. ... The NAD-dependent dehydrogenation of aldehydes can also be observed in mitochondria. Rat-liver cytosol contains two aldehyde dehydrogenases (acetaldehyde: NAD oxidoreductases, EC 1.2.1.3) ... the enzymes differ in their substrate specificity to acetaldehyde, propionaldehyde, butyraldehyde, & 3-dimethylamino-2,2-dimethylpropionaldehyde. horse-liver aldehyde dehydrogenase ... is capable of oxidizing ... propionaldehyde ... .

来源:Hazardous Substances Data Bank (HSDB)

代谢

对外来化合物代谢酶的研究是在两个人类肝脏的微粒体和细胞溶质组分中进行的，这些样本来自10个个体以及通过手术从患有下鼻甲肥大的患者获得的几个人类呼吸道鼻粘膜的混合样本。研究了谷胱甘肽S-转移酶、DT-二氢酶、环氧化物水解酶、UDP-葡萄糖醛酸转移酶、羰基还原酶、苯甲醛和丙醛脱氢酶的活性。这些活性在鼻和肝脏组织中相似，除了UDP-葡萄糖醛酸转移酶在鼻粘膜中未检测到。

Study of xenobiotic-metabolizing enzymes was undertaken in microsomal and cytosolic fractions of two human livers, 10 individual and several pooled samples of human respiratory nasal mucosa obtained by surgical operation of patients affected by hypertrophy of the inferior turbinates. The activities of glutathione S-transferase, DT-diaphorase, epoxide hydrolase, UDP-glucuronyl-transferase, carbonyl reductase, benzaldehyde and propionaldehyde dehydrogenases were investigated. These activities were similar in nasal and liver tissue, except for UDP-glucuronyl-transferase which was not detected in nasal mucosa.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

暴露途径

该物质可以通过吸入其蒸气和摄入的方式被身体吸收。

The substance can be absorbed into the body by inhalation of its vapour and by ingestion.