1,1,1-Trichloroethane
SmallMolecule
T3DB_ID
T3D0097
描述
1,1,1-Trichloroethane is generally considered as a polar solvent. Owing to its unsymmetrical structure, it is a superior solvent for organic compounds that do not dissolve well in hydrocarbons such as hexane. It is an excellent solvent for many organic materials and also one of the least toxic of the chlorinated hydrocarbons. Prior to the Montreal Protocol, it was widely used for cleaning metal parts and circuit boards, as a photoresist solvent in the electronics industry, as an aerosol propellant, as a cutting fluid additive, and as a solvent for inks, paints, adhesives and other coatings. 1,1,1-Trichloroethane is marketed with stabilizers since it is unstable with respect to dehydrochlorination and attacks some metals. Stabilizers comprise up to 8% of the formulation, including acid scavengers (epoxides, amines) and complexants. The Montreal Protocol targeted 1,1,1-trichloroethane as one of those compounds responsible for ozone depletion and banned its use beginning in 1996. Since then, its manufacture and use has been phased out throughout most of the world. The organic compound 1,1,1-trichloroethane, also known as methyl chloroform, is a chloroalkane. This colourless, sweet-smelling liquid was once produced industrially in large quantities for use as a solvent. It is regulated by the Montreal Protocol as an ozone-depleting substance and its use is being rapidly phased out.
类别
"Household Toxin", "Industrial/Workplace Toxin", "Pollutant", "Airborne Pollutant", "Food Toxin", "Synthetic Toxin"
同义词
"1,1,1 Trichloroethane", "1,1,1-TCE", "1,1,1-Trichloraethan", "1,1,1-Trichlorathan", "1,1,1-Trichlorethane", "1,1,1-Trichloro-2-(O-chlorophenyl)-2-(p-chlorophenyl)ethane", "1,1,1-Trichloro-Ethane", "1,1,1-Tricloroetano", "2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane", "Aerothene TT", "alpha-T", "alpha-Trichloroethane", "CH3CCl3", "Chlorotene", "Chlorothane NU", "Chlorothene", "Chlorten", "Cleanite", "Distillex DS1", "Ethana", "Ethana NU", "Genklene LB", "ICI-CF 2", "Inhibisol", "Methyl-Chloroform", "Methylchloroform", "Methyltrichloromethane", "Solvethane", "Tafclean", "Tri-ethane", "Trichloro-1,1,1-ethane", "Trichloroethane", "Trichloromethylmethane"
CAS登记号
71-55-6
化学式
C2H3Cl3
平均分子量
133.404
单同位素质量
131.930033217
IUPAC 名称
1,1,1-trichloroethane
传统名称
trichloroethane
简化分子线性输入规范
CC(Cl)(Cl)Cl
InChI 标识符
InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3
InChIKey=UOCLXMDMGBRAIB-UHFFFAOYSA-N
化合物类型
Organic compounds
大分类
Organohalogen compounds
类型
Organochlorides
子类
直接大类
Organochlorides
另外分类
"Alkyl chlorides", "Hydrocarbon derivatives"
取代基
"Aliphatic acyclic compound", "Alkyl chloride", "Alkyl halide", "Hydrocarbon derivative", "Organochloride"
分子框架
Aliphatic acyclic compounds
外部描述符
"a small molecule", "chloroethanes"
地位
Detected and Not Quantified
起源
Exogenous
蜂窝位置
"Membrane"
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
-30.4°C/74 °C (347°K, 165 °F)/1.29 mg/mL at 25°C
日志P
2.49
暴露途径
Oral (L306); inhalation (L306) ; dermal (L306)
毒性机制
1,1,1-Trichloroethane is a cholinesterase or acetylcholinesterase (AChE) inhibitor. A cholinesterase inhibitor (or 'anticholinesterase') suppresses the action of acetylcholinesterase. Because of its essential function, chemicals that interfere with the action of acetylcholinesterase are potent neurotoxins, causing excessive salivation and eye-watering in low doses, followed by muscle spasms and ultimately death. Nerve gases and many substances used in insecticides have been shown to act by binding a serine in the active site of acetylcholine esterase, inhibiting the enzyme completely. Acetylcholine esterase breaks down the neurotransmitter acetylcholine, which is released at nerve and muscle junctions, in order to allow the muscle or organ to relax. The result of acetylcholine esterase inhibition is that acetylcholine builds up and continues to act so that any nerve impulses are continually transmitted and muscle contractions do not stop. Among the most common acetylcholinesterase inhibitors are phosphorus-based compounds, which are designed to bind to the active site of the enzyme. The structural requirements are a phosphorus atom bearing two lipophilic groups, a leaving group (such as a halide or thiocyanate), and a terminal oxygen.
代谢
Upon first exposure, 1,1,1-trichloroethane is rapidly and efficiently absorbed by the lung, skin, and gastrointestinal tract of humans. 1,1,1-Trichloroethane is distributed by the blood to tissues and organs throughout the body, including to developing fetuses, with preferential distribution to fatty tissues. The predominant pathway of elimination of 1,1,1-trichloroethane in humans, regardless of route of exposure, is exhalation of the unchanged compound. 1,1,1-Trichloroethane is metabolized oxidatively, at low rates, to trichloroethanol and trichloroacetic acid by the cytochrome P-450 mixed-function oxidase system. These metabolites are excreted in the urine, and other minor metabolites (carbon dioxide [CO2] and acetylene) are excreted in expired air. (L304)
毒性值
LD50: 11 240 mg/kg (Oral, Mouse) (L304) LD50: 9470 mg/kg (Oral, Guinea pig) (L304) LD50: 5660 mg/kg (Oral, Rabbit) (L304)
致死剂量
致癌性
3, not classifiable as to its carcinogenicity to humans. (L310)
用途/来源
1,1,1-Trichloroethane was often used as a solvent to dissolve other substances, such as glues and paints. In industry, it was widely used to remove oil or grease from manufactured parts. In the home, it is used as an ingredient of products such as spot cleaners, glues, and aerosol sprays. No 1,1,1-trichloroethane is supposed to be manufactured for domestic use in the United States after January 1, 2002, because it affects the ozone layer. Exposure can occur from breathing in air containing it in vapor form, drinking water or eating food containing 1,1,1-trichloroethane. (L304)
最低风险等级
Acute Inhalation: 2 ppm (L304) Intermediate Inhalation: 0.7 ppm (Gerbil) (L304) Intermediate Oral: 20 mg/kg/day (Mouse) (L304)
健康影响
Acute exposure to cholinesterase inhibitors can cause a cholinergic crisis characterized by severe nausea/vomiting, salivation, sweating, bradycardia, hypotension, collapse, and convulsions. Increasing muscle weakness is a possibility and may result in death if respiratory muscles are involved. Accumulation of ACh at motor nerves causes overstimulation of nicotinic expression at the neuromuscular junction. When this occurs symptoms such as muscle weakness, fatigue, muscle cramps, fasciculation, and paralysis can be seen. When there is an accumulation of ACh at autonomic ganglia this causes overstimulation of nicotinic expression in the sympathetic system. Symptoms associated with this are hypertension, and hypoglycemia. Overstimulation of nicotinic acetylcholine receptors in the central nervous system, due to accumulation of ACh, results in anxiety, headache, convulsions, ataxia, depression of respiration and circulation, tremor, general weakness, and potentially coma. When there is expression of muscarinic overstimulation due to excess acetylcholine at muscarinic acetylcholine receptors symptoms of visual disturbances, tightness in chest, wheezing due to bronchoconstriction, increased bronchial secretions, increased salivation, lacrimation, sweating, peristalsis, and urination can occur. Certain reproductive effects in fertility, growth, and development for males and females have been linked specifically to organophosphate pesticide exposure. Most of the research on reproductive effects has been conducted on farmers working with pesticides and insecticdes in rural areas. In females menstrual cycle disturbances, longer pregnancies, spontaneous abortions, stillbirths, and some developmental effects in offspring have been linked to organophosphate pesticide exposure. Prenatal exposure has been linked to impaired fetal growth and development. Neurotoxic effects have also been linked to poisoning with OP pesticides causing four neurotoxic effects in humans: cholinergic syndrome, intermediate syndrome, organophosphate-induced delayed polyneuropathy (OPIDP), and chronic organophosphate-induced neuropsychiatric disorder (COPIND). These syndromes result after acute and chronic exposure to OP pesticides.
症状
Symptoms include cough, sore throat, headache, dizziness, drowsiness, nausea, ataxia, unconsciousness. Dry skin and redness follow dermal exposure, while nausea, vomiting, abdominal pain, and diarrhoea follw ingestion. (L306)
治疗
If the compound has been ingested, rapid gastric lavage should be performed using 5% sodium bicarbonate. For skin contact, the skin should be washed with soap and water. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. In serious cases, atropine and/or pralidoxime should be administered. Anti-cholinergic drugs work to counteract the effects of excess acetylcholine and reactivate AChE. Atropine can be used as an antidote in conjunction with pralidoxime or other pyridinium oximes (such as trimedoxime or obidoxime), though the use of '-oximes' has been found to be of no benefit, or possibly harmful, in at least two meta-analyses. Atropine is a muscarinic antagonist, and thus blocks the action of acetylcholine peripherally.
药库 ID
HMDB_ID
HMDB41791
PubChem 化合物 ID
6278
维基百科链接
http://en.wikipedia.org/wiki/1,1,1-trichloroethane
创建于
2009-03-06 18:58:04 UTC
更新于
2014-12-24 20:21:06 UTC
目标
毒素T3DB ID毒素名称目标名称
T3D0097 1,1,1-Trichloroethane Estrogen receptor beta
T3D0097 1,1,1-Trichloroethane Estrogen receptor alpha
T3D0097 1,1,1-Trichloroethane Sodium/potassium-transporting ATPase subunit beta-3
T3D0097 1,1,1-Trichloroethane Sodium/potassium-transporting ATPase subunit beta-2
T3D0097 1,1,1-Trichloroethane Sodium/potassium-transporting ATPase subunit beta-1
T3D0097 1,1,1-Trichloroethane Sodium/potassium-transporting ATPase subunit alpha-4
T3D0097 1,1,1-Trichloroethane Sodium/potassium-transporting ATPase subunit alpha-3
T3D0097 1,1,1-Trichloroethane Sodium/potassium-transporting ATPase subunit alpha-2
T3D0097 1,1,1-Trichloroethane Sodium/potassium-transporting ATPase subunit alpha-1
T3D0097 1,1,1-Trichloroethane Sodium/potassium-transporting ATPase subunit gamma
T3D0097 1,1,1-Trichloroethane Sarcoplasmic/endoplasmic reticulum calcium ATPase 3
T3D0097 1,1,1-Trichloroethane Sarcoplasmic/endoplasmic reticulum calcium ATPase 2
T3D0097 1,1,1-Trichloroethane Sarcoplasmic/endoplasmic reticulum calcium ATPase 1
T3D0097 1,1,1-Trichloroethane Plasma membrane calcium-transporting ATPase 4
T3D0097 1,1,1-Trichloroethane Plasma membrane calcium-transporting ATPase 3
T3D0097 1,1,1-Trichloroethane Plasma membrane calcium-transporting ATPase 2
T3D0097 1,1,1-Trichloroethane Plasma membrane calcium-transporting ATPase 1
T3D0097 1,1,1-Trichloroethane Gamma-aminobutyric acid receptor subunit theta
T3D0097 1,1,1-Trichloroethane Gamma-aminobutyric acid receptor subunit rho-3
T3D0097 1,1,1-Trichloroethane Gamma-aminobutyric acid receptor subunit rho-2
T3D0097 1,1,1-Trichloroethane Gamma-aminobutyric acid receptor subunit rho-1
T3D0097 1,1,1-Trichloroethane Gamma-aminobutyric acid receptor subunit pi
T3D0097 1,1,1-Trichloroethane Gamma-aminobutyric acid receptor subunit gamma-3
T3D0097 1,1,1-Trichloroethane Gamma-aminobutyric acid receptor subunit gamma-2
T3D0097 1,1,1-Trichloroethane Gamma-aminobutyric acid receptor subunit gamma-1
T3D0097 1,1,1-Trichloroethane Gamma-aminobutyric acid receptor subunit epsilon
T3D0097 1,1,1-Trichloroethane Gamma-aminobutyric acid receptor subunit delta
T3D0097 1,1,1-Trichloroethane Gamma-aminobutyric acid receptor subunit beta-3
T3D0097 1,1,1-Trichloroethane Gamma-aminobutyric acid receptor subunit beta-2
T3D0097 1,1,1-Trichloroethane Gamma-aminobutyric acid receptor subunit beta-1
T3D0097 1,1,1-Trichloroethane Gamma-aminobutyric acid receptor subunit alpha-6
T3D0097 1,1,1-Trichloroethane Gamma-aminobutyric acid receptor subunit alpha-5
T3D0097 1,1,1-Trichloroethane Gamma-aminobutyric acid receptor subunit alpha-4
T3D0097 1,1,1-Trichloroethane Gamma-aminobutyric acid receptor subunit alpha-3
T3D0097 1,1,1-Trichloroethane Gamma-aminobutyric acid receptor subunit alpha-2
T3D0097 1,1,1-Trichloroethane Gamma-aminobutyric acid receptor subunit alpha-1
T3D0097 1,1,1-Trichloroethane Calcium-transporting ATPase type 2C member 2
T3D0097 1,1,1-Trichloroethane Calcium-transporting ATPase type 2C member 1
T3D0097 1,1,1-Trichloroethane RNA
T3D0097 1,1,1-Trichloroethane DNA
T3D0097 1,1,1-Trichloroethane Acetylcholinesterase
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