Bis(2-chloroethyl) ether
SmallMolecule
T3DB_ID
T3D0088
描述
Bis(2-chloroethyl) ether (BCEE) is a colorless non-flammable liquid with a strong, unpleasant odor. It does not occur naturally, but is manufactured by humans for use in the production of pesticides and other chemicals. Limited amounts of BCEE dissolve in water and also slowly evaporate into air. In the environment, BCEE is broken down by bacteria in soil and water and by chemical reactions in the air, so it does not tend to persist for long periods. (L183)
类别
"Pesticide", "Industrial/Workplace Toxin", "Pollutant", "Airborne Pollutant", "Synthetic Toxin"
同义词
"1,1'-Oxybis(2-chloro)ethane", "1,1'-Oxybis(2-chloroethane)", "1,5-Dichloro-3-oxapentane", "1-Chloro-2-(.beta.-chloroethoxy)ethane", "1-Chloro-2-(2-chloroethoxy)ethane", "1-Chloro-2-(b-chloroethoxy)ethane", "1-Chloro-2-(beta-chloroethoxy)ethane", "2, 2'-Dichlorodiethyl ether", "2,2'-Dichlorethyl ether", "2,2'-Dichlorodiethyl ether", "2,2'-Dichlorodiethyl oxide", "2,2'-dichlorodiethylether", "2,2'-Dichloroethyl ether", "2-Chloroethyl ether", "b,b'-dichlorodiethyl ether", "b,b'-dichloroethyl ether", "b,b-dichlorodiethyl ether", "Beta ,beta'-dichlorodiethyl ether", "Beta,beta'-dichlorodiethyl ether", "Beta,beta-dichlorodiethyl ether", "Beta,beta-dichloroethyl ether", "Beta-chloroethyl ether", "Bis(.beta.-chloroethyl) ether", "Bis(2-chloroethyl)ether", "Bis(b-chloroethyl) ether", "Bis(beta-chloroethyl) ether", "Bis(chloro-2-ethyl) oxide", "Bis(chloroethyl) ether", "Bis(chloroethyl)ether", "Bis(chloroethyl)ether (bcee)", "Bis-2-chloroethylether", "Chlorex", "Chloroethyl ether", "Clorex", "Di(.beta.-chloroethyl) ether", "Di(2-chloroethyl) ether", "Di(b-chloroethyl) ether", "Di(beta-chloroethyl)ether", "Di(chloroethyl) oxide", "Dichlorodiethyl ether", "Dichloroether", "Dichloroethyl ether", "Dichloroethyl oxide", "Dicholoroethyl ether", "Diethylene glycol dichloride", "Oxybis(2-chloroethane)", "S-dichloroethyl ether", "SYM-dichloroethyl ether"
CAS登记号
111-44-4
化学式
C4H8Cl2O
平均分子量
143.012
单同位素质量
141.995220292
IUPAC 名称
1-chloro-2-(2-chloroethoxy)ethane
传统名称
BCEE
简化分子线性输入规范
ClCCOCCCl
InChI 标识符
InChI=1S/C4H8Cl2O/c5-1-3-7-4-2-6/h1-4H2
InChIKey=ZNSMNVMLTJELDZ-UHFFFAOYSA-N
化合物类型
Organic compounds
大分类
Organic oxygen compounds
类型
Organooxygen compounds
子类
Ethers
直接大类
Dialkyl ethers
另外分类
"Alkyl chlorides", "Hydrocarbon derivatives", "Organochlorides"
取代基
"Aliphatic acyclic compound", "Alkyl chloride", "Alkyl halide", "Dialkyl ether", "Hydrocarbon derivative", "Organochloride", "Organohalogen compound"
分子框架
Aliphatic acyclic compounds
外部描述符
"ether"
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
Colorless liquid.
熔点/沸点/溶解度
-51.9°C//17.2 mg/mL at 20 °C [VEITH,GD et al. (1980)]
日志P
暴露途径
Oral (L184); inhalation (L184) ; dermal (L184)
毒性机制
BCEE is extremely meabolized, with thiodiglycolic acid (TDGA) being the principal endproduct. The pathway leading to TDGA formation is uncertain, but probably involves oxidative cleavage of the ether bond to yield chloroacetaldehyde and 2-chloroethanol. (L183)
代谢
BCEE is absorbed following inhalation exposure, oral administration, as well as contact to the skin. BCEE is distributed through the body, but highest levels are found in the liver, kidney and small intestine, while much lower levels are found in lung, spleen and muscle. BCEE is extensively metabolized to thiodiglycolic acid (TDGA), 2-chloroethoxyacetic acid (CEAA), and N-acetyl-S-[2-(2-chloroethoxy)ethyl]-L-cysteine, with TDGA being the principal endproduct. Smaller amounts of BCEE are metabolized by oxidation or substitution at a chlorine without ether cleavage. Approximately 80% of BCEE administered orally is excreted as TDGA within 48 hours. Smaller amounts are excreted in feces or expired air and only a very small fraction of the dose remains in the body. This indicates that BCEE is effectively excreted, and that it has a low tendency to accumulate in tissues. (L183, A129)
毒性值
致死剂量
致癌性
3, not classifiable as to its carcinogenicity to humans. (L135)
用途/来源
Bis(2-chloroethyl) ether is used in pesticides. It is also used as a solvent, cleaner, component of paint and varnish, rust inhibitor, or as a chemical intermediate to make other chemicals. Exposure occurs from consumption of drinking water that contains BCEE, breathing BCEE vapors, and dermal contact. (L183)
最低风险等级
Intermediate Inhalation: 0.02 ppm (L134)
健康影响
The principal acute effect of inhalation exposure to BCEE vapor is irritation and injury to the cells of the respiratory epithelium. BCEE vapors can cause loss of weight, nose irritation, severe injury to the lungs, and may lead to death. It might also cause cancer. (L183)
症状
Symptoms of BCEE exposure include coughing, sore throat, nausea, vomiting, burning sensation, redness of the exposed surface, laboured breathing, and abdominal pain, depending on the route of exposure. Symptoms may be delayed. (L184)
治疗
药库 ID
HMDB_ID
PubChem 化合物 ID
8115
维基百科链接
创建于
2009-03-06 18:58:03 UTC
更新于
2014-12-24 20:21:05 UTC
目标
毒素T3DB ID毒素名称目标名称
T3D0088 Bis(2-chloroethyl) ether Estrogen receptor beta
T3D0088 Bis(2-chloroethyl) ether Estrogen receptor alpha
T3D0088 Bis(2-chloroethyl) ether Sodium/potassium-transporting ATPase subunit beta-3
T3D0088 Bis(2-chloroethyl) ether Sodium/potassium-transporting ATPase subunit beta-2
T3D0088 Bis(2-chloroethyl) ether Sodium/potassium-transporting ATPase subunit beta-1
T3D0088 Bis(2-chloroethyl) ether Sodium/potassium-transporting ATPase subunit alpha-4
T3D0088 Bis(2-chloroethyl) ether Sodium/potassium-transporting ATPase subunit alpha-3
T3D0088 Bis(2-chloroethyl) ether Sodium/potassium-transporting ATPase subunit alpha-2
T3D0088 Bis(2-chloroethyl) ether Sodium/potassium-transporting ATPase subunit alpha-1
T3D0088 Bis(2-chloroethyl) ether Sodium/potassium-transporting ATPase subunit gamma
T3D0088 Bis(2-chloroethyl) ether Sarcoplasmic/endoplasmic reticulum calcium ATPase 3
T3D0088 Bis(2-chloroethyl) ether Sarcoplasmic/endoplasmic reticulum calcium ATPase 2
T3D0088 Bis(2-chloroethyl) ether Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
T3D0088 Bis(2-chloroethyl) ether Plasma membrane calcium-transporting ATPase 4
T3D0088 Bis(2-chloroethyl) ether Plasma membrane calcium-transporting ATPase 3
T3D0088 Bis(2-chloroethyl) ether Plasma membrane calcium-transporting ATPase 2
T3D0088 Bis(2-chloroethyl) ether Plasma membrane calcium-transporting ATPase 1
T3D0088 Bis(2-chloroethyl) ether Gamma-aminobutyric acid receptor subunit theta
T3D0088 Bis(2-chloroethyl) ether Gamma-aminobutyric acid receptor subunit rho-3
T3D0088 Bis(2-chloroethyl) ether Gamma-aminobutyric acid receptor subunit rho-2
T3D0088 Bis(2-chloroethyl) ether Gamma-aminobutyric acid receptor subunit rho-1
T3D0088 Bis(2-chloroethyl) ether Gamma-aminobutyric acid receptor subunit pi
T3D0088 Bis(2-chloroethyl) ether Gamma-aminobutyric acid receptor subunit gamma-3
T3D0088 Bis(2-chloroethyl) ether Gamma-aminobutyric acid receptor subunit gamma-2
T3D0088 Bis(2-chloroethyl) ether Gamma-aminobutyric acid receptor subunit gamma-1
T3D0088 Bis(2-chloroethyl) ether Gamma-aminobutyric acid receptor subunit epsilon
T3D0088 Bis(2-chloroethyl) ether Gamma-aminobutyric acid receptor subunit delta
T3D0088 Bis(2-chloroethyl) ether Gamma-aminobutyric acid receptor subunit beta-3
T3D0088 Bis(2-chloroethyl) ether Gamma-aminobutyric acid receptor subunit beta-2
T3D0088 Bis(2-chloroethyl) ether Gamma-aminobutyric acid receptor subunit beta-1
T3D0088 Bis(2-chloroethyl) ether Gamma-aminobutyric acid receptor subunit alpha-6
T3D0088 Bis(2-chloroethyl) ether Gamma-aminobutyric acid receptor subunit alpha-5
T3D0088 Bis(2-chloroethyl) ether Gamma-aminobutyric acid receptor subunit alpha-4
T3D0088 Bis(2-chloroethyl) ether Gamma-aminobutyric acid receptor subunit alpha-3
T3D0088 Bis(2-chloroethyl) ether Gamma-aminobutyric acid receptor subunit alpha-2
T3D0088 Bis(2-chloroethyl) ether Gamma-aminobutyric acid receptor subunit alpha-1
T3D0088 Bis(2-chloroethyl) ether Calcium-transporting ATPase type 2C member 2
T3D0088 Bis(2-chloroethyl) ether Calcium-transporting ATPase type 2C member 1
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