1,1,1-Trichloroethane (BioDeep_00000012166)

 

Secondary id: BioDeep_00001867733

human metabolite


代谢物信息卡片


1,1,1-Trichloro-2-(O-chlorophenyl)-2-(p-chlorophenyl)ethane

化学式: C2H3Cl3 (131.93003280000002)
中文名称: 1,1,1-三氯乙烷标准溶液, 三氯乙烷
谱图信息: 最多检出来源 Homo sapiens(blood) 0.89%

分子结构信息

SMILES: CC(Cl)(Cl)Cl
InChI: InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3

描述信息

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.

同义名列表

48 个代谢物同义名

1,1,1-Trichloro-2-(O-chlorophenyl)-2-(p-chlorophenyl)ethane; 2-(2-Chlorophenyl)-2-(4-chlorophenyl)-1,1,1-trichloroethane; 1,1,1-Trichloroethane (acd/name 4.0); Methyltrichloromethane; Trichloro-1,1,1-ethane; Chlorothene, inhibited; Rcra waste number u226; Trichloromethylmethane; 1,1,1-Trichloro-ethane; alpha-Trichloroethane; 1,1,2-TRICHLOROETHANE; 1,1,1 Trichloroethane; 1,1,1-TRICHLOROETHANE; 1,1,1-Trichloraethan; 1,1,1-Trichlorethane; 1,1,1-Trichlorathan; 1,1,1-Tricloroetano; Methyl-chloroform; Α-trichloroethane; a-Trichloroethane; Methylchloroform; Trichloroethane; Chlorothene nu; Chlorothene VG; Chlorothane nu; Chlorothene SM; Distillex DS1; Aerothene TT; Solvent 111; Three one a; Genklene LB; Three one S; Chlorothene; Solvethane; Tri-ethane; Chlorotene; 1,1,1-TCE; Ethana nu; Inhibisol; Tafclean; ICI-CF 2; Chlorten; Cleanite; CH3CCL3; Alpha-T; Ethana; α-T; a-T



数据库引用编号

13 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

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PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

1 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

  • PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。



文献列表

  • Riley A Murnane, Weijue Chen, Michael Hyman, Lewis Semprini. Long-term cometabolic transformation of 1,1,1-trichloroethane and 1,4-dioxane by Rhodococcus rhodochrous ATCC 21198 grown on alcohols slowly produced by orthosilicates. Journal of contaminant hydrology. 2021 Jun; 240(?):103796. doi: 10.1016/j.jconhyd.2021.103796. [PMID: 33765462]
  • M Ivy Yang, Michael Previdsa, Elizabeth A Edwards, Brent E Sleep. Two distinct Dehalobacter strains sequentially dechlorinate 1,1,1-trichloroethane and 1,1-dichloroethane at a field site treated with granular zero valent iron and guar gum. Water research. 2020 Nov; 186(?):116310. doi: 10.1016/j.watres.2020.116310. [PMID: 32858243]
  • Mitchell T Rasmussen, Alyssa M Saito, Michael R Hyman, Lewis Semprini. Co-encapsulation of slow release compounds and Rhodococcus rhodochrous ATCC 21198 in gellan gum beads to promote the long-term aerobic cometabolic transformation of 1,1,1-trichloroethane, cis-1,2-dichloroethene and 1,4-dioxane. Environmental science. Processes & impacts. 2020 Mar; 22(3):771-791. doi: 10.1039/c9em00607a. [PMID: 32083262]
  • Nathan DeBono, David Richardson, Alex Keil, Kaitlin Kelly-Reif, Whitney Robinson, Melissa Troester, Stephen Marshall. Employment characteristics and cause-specific mortality at automotive electronics manufacturing plants in Huntsville, Alabama. American journal of industrial medicine. 2019 04; 62(4):296-308. doi: 10.1002/ajim.22963. [PMID: 30791109]
  • Naima A Khan, Michael D Johnson, James D Kubicki, F Omar Holguin, Barry Dungan, Kenneth C Carroll. Cyclodextrin-enhanced 1,4-dioxane treatment kinetics with TCE and 1,1,1-TCA using aqueous ozone. Chemosphere. 2019 Mar; 219(?):335-344. doi: 10.1016/j.chemosphere.2018.11.200. [PMID: 30551099]
  • Naima A Khan, Michael D Johnson, Kenneth C Carroll. Spectroscopic methods for aqueous cyclodextrin inclusion complex binding measurement for 1,4-dioxane, chlorinated co-contaminants, and ozone. Journal of contaminant hydrology. 2018 03; 210(?):31-41. doi: 10.1016/j.jconhyd.2018.02.002. [PMID: 29478672]
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  • Milica Velimirovic, Tiziana Tosco, Maarten Uyttebroek, Michela Luna, Francesca Gastone, Cjestmir De Boer, Norbert Klaas, Hans Sapion, Heinrich Eisenmann, Per-Olof Larsson, Juergen Braun, Rajandrea Sethi, Leen Bastiaens. Field assessment of guar gum stabilized microscale zerovalent iron particles for in-situ remediation of 1,1,1-trichloroethane. Journal of contaminant hydrology. 2014 Aug; 164(?):88-99. doi: 10.1016/j.jconhyd.2014.05.009. [PMID: 24963597]
  • Catherine Tomicic, David Vernez. Sex differences in urinary levels of several biological indicators of exposure: a simulation study using a compartmental-based toxicokinetic model. Journal of occupational and environmental hygiene. 2014; 11(6):377-87. doi: 10.1080/15459624.2013.875180. [PMID: 24372376]
  • James W Holder. Physical and physicochemical factors effecting transport of chlorohydrocarbon gases from lung alveolar air to blood as measured by the causation of narcosis. Journal of environmental science and health. Part C, Environmental carcinogenesis & ecotoxicology reviews. 2012 Jan; 30(1):42-80. doi: 10.1080/10590501.2012.653888. [PMID: 22458856]
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  • Robert C Borden. Concurrent bioremediation of perchlorate and 1,1,1-trichloroethane in an emulsified oil barrier. Journal of contaminant hydrology. 2007 Oct; 94(1-2):13-33. doi: 10.1016/j.jconhyd.2007.06.002. [PMID: 17614158]
  • Jinxin Wang, Rongjin Li, Yingyan Guo, Pei Qin, Shucun Sun. Removal of methyl chloroform in a coastal salt marsh of eastern China. Chemosphere. 2006 Nov; 65(8):1371-80. doi: 10.1016/j.chemosphere.2006.04.019. [PMID: 16737728]
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  • Douglas O Johns, William E Daniell, Danny D Shen, David A Kalman, Russell L Dills, Michael S Morgan. Ethanol-induced increase in the metabolic clearance of 1,1,1-trichloroethane in human volunteers. Toxicological sciences : an official journal of the Society of Toxicology. 2006 Jul; 92(1):61-70. doi: 10.1093/toxsci/kfj210. [PMID: 16638923]
  • Peter P Singer, Graham R Jones. An unusual autoerotic fatality associated with chloroform inhalation. Journal of analytical toxicology. 2006 Apr; 30(3):216-8. doi: 10.1093/jat/30.3.216. [PMID: 16803657]
  • Avima M Ruder, Misty J Hein, Nancy Nilsen, Martha A Waters, Patricia Laber, Karen Davis-King, Mary M Prince, Elizabeth Whelan. Mortality among workers exposed to polychlorinated biphenyls (PCBs) in an electrical capacitor manufacturing plant in Indiana: an update. Environmental health perspectives. 2006 Jan; 114(1):18-23. doi: 10.1289/ehp.8253. [PMID: 16393652]
  • Russ Hauser, Paige Williams, Larisa Altshul, Susan Korrick, Lynne Peeples, Donald G Patterson, Wayman E Turner, Mary M Lee, Boris Revich, Oleg Sergeyev. Predictors of serum dioxin levels among adolescent boys in Chapaevsk, Russia: a cross-sectional pilot study. Environmental health : a global access science source. 2005 May; 4(1):8. doi: 10.1186/1476-069x-4-8. [PMID: 15918907]
  • Douglas O Johns, Russell L Dills, Michael S Morgan. Evaluation of dynamic headspace with gas chromatography/mass spectrometry for the determination of 1,1,1-trichloroethane, trichloroethanol, and trichloroacetic acid in biological samples. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2005 Mar; 817(2):255-61. doi: 10.1016/j.jchromb.2004.12.013. [PMID: 15686993]
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