1,4-Dioxane
SmallMolecule
T3DB_ID
T3D0210
描述
1,4-Dioxane (commonly referred to as simply ‘dioxane’) is used as a solvent in the manufacture of other chemicals and as a laboratory reagent. It is a trace contaminant of some chemicals used in cosmetics, detergents, and shampoos. (L1189)
类别
"Household Toxin", "Industrial/Workplace Toxin", "Pollutant", "Airborne Pollutant", "Synthetic Toxin"
同义词
"1, 4-Diethylene dioxide", "1,4 Dioxane", "1,4-DIethylene dioxide", "1,4-Diethylenedioxide", "1,4-Diethyleneoxide", "1,4-Dioxacyclohexane", "1,4-Dioxan", "Di(ethylene oxide)", "Diethylene dioxide", "Diethylene ether", "Diethylene oxide", "Dioxan", "Dioxan-1,4", "Dioxane", "Dioxane-1,4", "Dioxyethylene ether", "Glycol ethylene ether", "P-dioxane", "Para-dioxane", "Tetrahydro-1,4-dioxin", "Tetrahydro-p-dioxin", "Tetrahydro-para-dioxin"
CAS登记号
123-91-1
化学式
C4H8O2
平均分子量
88.1051
单同位素质量
88.0524295
IUPAC 名称
1,4-dioxane
传统名称
dioxane
简化分子线性输入规范
C1COCCO1
InChI 标识符
InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2
InChIKey=RYHBNJHYFVUHQT-UHFFFAOYSA-N
化合物类型
Organic compounds
大分类
Organoheterocyclic compounds
类型
Dioxanes
子类
1,4-dioxanes
直接大类
1,4-dioxanes
另外分类
"Dialkyl ethers", "Hydrocarbon derivatives", "Oxacyclic compounds"
取代基
"Aliphatic heteromonocyclic compound", "Dialkyl ether", "Ether", "Hydrocarbon derivative", "Organic oxygen compound", "Organooxygen compound", "Oxacycle", "Para-dioxane"
分子框架
Aliphatic heteromonocyclic compounds
外部描述符
"a small molecule", "dioxane"
地位
Detected and Not Quantified
起源
Exogenous
蜂窝位置
"Cytoplasm", "Extracellular"
生物流体位置
组织位置
途径
状态
Liquid
外貌
1,4-Dioxane is a colorless volatile liquid with a faint pleasant odor and mixes easily with water. (L1189)
熔点/沸点/溶解度
11.8°C/101.1 °C/1000 mg/mL at 20 °C [RIDDICK,JA et al. (1986)]
日志P
暴露途径
Oral (L1189) ; inhalation (L1189) ; dermal (L1189)
毒性机制
Though the mechanism of toxicity of 1,4-dioxane has not yet been elucidated, it is known that its carcinogenic effects are caused by a non-genotoxic mechanism that is most likely cytotoxic in nature. (L1189, L1881)
代谢
Exposure to 1,4-dioxane may occur by inhalation, ingestion, and to a lesser extent by dermal contact. 1,4-Dioxane is quickly absorbed and metabolized to beta-hydroxyethoxyacetic acid (HEAA) by mixed-function oxidase enzymes. HEAA can then be converted to 1,4-dioxane-2-one under acidic conditions. Both of these products are rapidly and extensively eliminated in the urine (>95%). Unchanged 1,4-dioxane can also be excreted in the urine and in exhaled air, but mainly after high-dose exposure. (L1189)
毒性值
LD50: 1550 mg/kg (Intravenous, Rabbit) (A710) LD50: 4350 mg/kg (Subcutaneous, Mouse) (A710) LD50: >8300 mg/kg (Dermal, Rabbit) (A710) LD50: 2100 mg/kg (Oral, Dog) (A710) LD50: 799 mg/kg (Intraperitoneal, Rat) (T14) LC50: 46 g/m3 over 2 hours (Inhalation, Rat) (A710)
致死剂量
470 ppm for an adult human. (A711)
致癌性
2B, possibly carcinogenic to humans. (L135)
用途/来源
1,4-Dioxane is primarily used in solvent applications for the manufacturing sector; however, it is also found in fumigants and automotive coolant. 1,4-Dioxane is a byproduct of the ethoxylation process in cosmetics manufacturing, thus many products on the market today contain 1,4-dioxane in very small amounts. However, some cosmetics, detergents, and shampoos may contain 1,4-dioxane at levels higher than recommended by the FDA for other products. 1,4-Dioxane can also be found in tap water, so human exposure to 1,4-dioxane may also occur during activities such as showering, bathing, and laundering. (L1189, L1880)
最低风险等级
健康影响
1,4-Dioxane for short period of time cause eye and nose irritation at low levels, and severe kidney and liver effects and possibly death at very high levels. For long-term exposure, studies in animals have shown that breathing vapors of 1,4-dioxane, swallowing liquid 1,4-dioxane or contaminated drinking water, or having skin contact with liquid 1,4-dioxane affects mainly the liver and kidneys. Studies in workers did not indicate whether 1,4-dioxane causes cancer, but animal studies suggest that it is a probable human carcinogen. (L1189)
症状
1,4-Dioxane causes eye and respiratory tract irritation. (L1880)
治疗
药库 ID
DB03316
HMDB_ID
PubChem 化合物 ID
31275
维基百科链接
http://en.wikipedia.org/wiki/1,4-Dioxane
创建于
2009-03-06 18:58:17 UTC
更新于
2014-12-24 20:21:20 UTC
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