您当前所在的位置:首页 > 产品中心 > 产品详细信息
121-75-5 分子结构
点击图片或这里关闭

1,4-diethyl 2-{[dimethoxy(sulfanylidene)-$l^{5}-phosphanyl]sulfanyl}butanedioate

ChemBase编号:652
分子式:C10H19O6PS2
平均质量:330.358021
单一同位素质量:330.03606696
SMILES和InChIs

SMILES:
S(P(=S)(OC)OC)C(CC(=O)OCC)C(=O)OCC
Canonical SMILES:
CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC
InChI:
InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3
InChIKey:
JXSJBGJIGXNWCI-UHFFFAOYSA-N

引用这个纪录

CBID:652 http://www.chembase.cn/molecule-652.html

Collapse All Expand All

名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
1,4-diethyl 2-{[dimethoxy(sulfanylidene)-$l^{5}-phosphanyl]sulfanyl}butanedioate
1,4-diethyl 2-{[dimethoxy(sulfanylidene)-λ5-phosphanyl]sulfanyl}butanedioate
IUPAC传统名
malathion
paladin
1,4-diethyl 2-{[dimethoxy(sulfanylidene)-λ5-phosphanyl]sulfanyl}butanedioate
商标名
Calmathion
Carbethoxy malathion
Carbetovur
Carbetox
Celthion
Chemathion
Cimexan
Cleensheen
Cythion
Derbac-M
Detmol MA
Emmatos
Emmatos extra
Ethiolacar
Etiol
Extermathion
Fog 3
Formal
Forthion
Fosfothion
Fosfotion
Fosfotion 550
Fyfanon
Hilthion
Hilthion 25WDP
Karbofos
Kop-Thionkypfosmalacide
Kop-thion
Kypfos
Latka 4049
Lice Rid
Malacide
Malafor
Malagran
Malakill
Malamar
Malamar 50
Malaphele
Malaphos
Malasol
Malaspray
Malathion 60
Malathion E50
Malathion LV Concentrate
Malathiozoo
Malathon
Malation
Malatol
Malatox
Malmed
Malphos
Maltox
Maltox MLT
Moscarda
OMS 1
Organoderm
Ortho Malathion
Ovide
Phosphothion
Prioderm
Sadofos
Sadofos 30
Sadophos
Siptox I
Staeubol-Puder
Suleo-M
Sumitox
TAK
Taskil
Vegfru malatox
Vetiol
Zithiol
别名
马拉硫磷
马拉硫磷 溶液
Compound 4049
Experimental insecticide 4049
Malathione
Mercaptosuccinic acid diethyl ester
MLT
Carbophos
Carbofos
Maldison
Mercaptothion
Mercaptotion
Oleophosphothion
Insecticide no. 4049
malathion
Malathion
Malathion
Malathion solution
[(Dimethoxyphosphinothioyl)thio]butanedioic Acid Diethyl Ester
2-(dimethoxyphosphinothioylthio) butanedioic acid diethyl ester
Ortho malathion
CAS号
121-75-5
EC号
204-497-7
MDL号
MFCD00036233
Beilstein号
1804525
PubChem SID
46505287
24862222
24869494
160964115
24899302
PubChem CID
4004
CHEBI ID
6651
ATC码
P03AX03
QP53AF12
CHEMBL
1200468
Chemspider ID
3864
DrugBank ID
DB00772
KEGG ID
D00534
美国药典/FDA物质标识码
U5N7SU872W
维基百科标题
Malathion

理论计算性质

理论计算性质

JChem ALOGPS 2.1
质子受体 质子供体
LogD (pH = 5.5) 1.8572832  LogD (pH = 7.4) 1.8572832 
Log P 1.8572832  摩尔折射率 78.1823 cm3
极化性 31.96836 Å3 极化表面积 71.06 Å2
可自由旋转的化学键 11  里宾斯基五规则 true 
Log P 2.67  LOG S -3.3 
溶解度 1.65e-01 g/l 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
溶解度
143 mg/L expand 查看数据来源
145 mg/L at 20 °C in water expand 查看数据来源
Chloroform expand 查看数据来源
Ethyl Acetate expand 查看数据来源
Soluble in ethanol and acetone; very soluble in ethyl ether expand 查看数据来源
外观
Clear colorless liquid expand 查看数据来源
Light Yellow Oil expand 查看数据来源
熔点
2.9°C expand 查看数据来源
2.9 °C expand 查看数据来源
沸点
156°C expand 查看数据来源
156-157 °C at 0.7 mmHg expand 查看数据来源
156-157°C expand 查看数据来源
闪点
-.4 °F expand 查看数据来源
-18 °C expand 查看数据来源
密度
1.23 g/cm3 expand 查看数据来源
1.23 g/ml expand 查看数据来源
分配系数
2.36 (octanol/water) expand 查看数据来源
疏水性(logP)
2 expand 查看数据来源
保存条件
-20°C Freezer, Under Inert Atmosphere expand 查看数据来源
RTECS编号
WM8400000 expand 查看数据来源
欧盟危险性物质标志
易燃性(Flammable) 易燃性(Flammable) (F) expand 查看数据来源
环境危害性(Nature polluting) 环境危害性(Nature polluting) (N) expand 查看数据来源
有害性(Harmful) 有害性(Harmful) (Xn) expand 查看数据来源
联合国危险货物编号
1145 expand 查看数据来源
3082 expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
2 expand 查看数据来源
3 expand 查看数据来源
联合国危险货物等级
3 expand 查看数据来源
9 expand 查看数据来源
联合国危险货物包装类别(PG)
2 expand 查看数据来源
3 expand 查看数据来源
危险公开号
11-38-50/53-65-67 expand 查看数据来源
22-43-50/53 expand 查看数据来源
安全公开号
16-61-62 expand 查看数据来源
24-37-46-60-61 expand 查看数据来源
GHS危险品标识
GHS02 expand 查看数据来源
GHS07 expand 查看数据来源
GHS08 expand 查看数据来源
GHS09 expand 查看数据来源
GHS警示词
Danger expand 查看数据来源
Warning expand 查看数据来源
GHS危险声明
H225-H304-H315-H336-H410 expand 查看数据来源
H302-H317-H410 expand 查看数据来源
GHS警示性声明
P210-P261-P273-P301 + P310-P331-P501 expand 查看数据来源
P273-P280-P501 expand 查看数据来源
个人保护装置
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand 查看数据来源
RID/ADR
UN 1145 3/PG 2 expand 查看数据来源
UN 3082 9/PG 3 expand 查看数据来源
保存温度
2-8°C expand 查看数据来源
纯度
96% expand 查看数据来源
浓度
100 ng/μL in cyclohexane expand 查看数据来源
级别
analytical standard expand 查看数据来源
certified reference material expand 查看数据来源
PESTANAL®, analytical standard expand 查看数据来源
TraceCERT® expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
包装
ampule of 500 mg expand 查看数据来源
有效期
(limited shelf life, expiry date on the label) expand 查看数据来源
Empirical Formula (Hill Notation)
C10H19O6PS2 expand 查看数据来源

详细说明

详细说明

MP Biomedicals MP Biomedicals DrugBank DrugBank Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals -  05224056 external link
MP Biomedicals Rare Chemical collection
DrugBank -  DB00772 external link
Item Information
Drug Groups approved; investigational
Description A wide spectrum aliphatic organophosphate insecticide widely used for both domestic and commercial agricultural purposes. [PubChem]
Indication For patients infected with Pediculus humanus capitis (head lice and their ova) of the scalp hair.
Pharmacology Malathion is an organophosphate insecticide commonly used to control mosquitos and other flying insects. Pharmaceutically, malathion is used to eliminate head lice. The principal toxicological effect of malathion is cholinesterase inhibition, due primarily to malaoxon and to phosphorus thionate impurities.
Toxicity Malathion is slightly toxic via the oral route, with reported oral LD50 values of 1000 mg/kg to greater than 10,000 mg/kg in the rat. It is also slightly toxic via the dermal route, with reported dermal LD50 values of greater than 4000 mg/kg in rats. Moderate poisoning can result in chest tightness, difficulty breathing, bradycardia, tachycardia, tremor/ataxia, blurred vision, and confusion. Severe, life-threatening signs include coma, seizures, respiratory arrest, and paralysis. Malathion may also be irritating to the skin and eyes.
Affected Organisms
Head lice
Biotransformation The major metabolites of malathion are the diacid and monoacid metabolites, namely, malathion dicarboxylic acid (DCA) and malathion monocarboxylic acid (MCA). Malaoxon, the active cholinesterase-inhibiting metabolite of malathion, is a minor metabolite. Both malathion and malaoxon are detoxified by carboxyesterases leading to polar, water-soluble compounds that are excreted.
Absorption Malathion in an acetone vehicle has been reported to be absorbed through normal human skin only to the extent of 8% of the applied dose. Absorption may be increased when malathion is applied to damaged skin. Malathion is rapidly and effectively absorbed by practically all routes including the gastrointestinal tract, skin, mucous membranes, and lungs. However, it is readily excreted in the urine, and does not accumulate in organs or tissues.
Half Life 8-24 hours
References
Baker EL Jr, Warren M, Zack M, Dobbin RD, Miles JW, Miller S, Alderman L, Teeters WR: Epidemic malathion poisoning in Pakistan malaria workers. Lancet. 1978 Jan 7;1(8054):31-4. [Pubmed]
Bonner MR, Coble J, Blair A, Beane Freeman LE, Hoppin JA, Sandler DP, Alavanja MC: Malathion exposure and the incidence of cancer in the agricultural health study. Am J Epidemiol. 2007 Nov 1;166(9):1023-34. Epub 2007 Aug 23. [Pubmed]
Edwards JW, Lee SG, Heath LM, Pisaniello DL: Worker exposure and a risk assessment of malathion and fenthion used in the control of Mediterranean fruit fly in South Australia. Environ Res. 2007 Jan;103(1):38-45. Epub 2006 Aug 17. [Pubmed]
External Links
Wikipedia
RxList
Drugs.com
Sigma Aldrich -  36143 external link
法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH
Sigma Aldrich -  31558 external link
法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH
Sigma Aldrich -  91481 external link
General description
Certified content by quantitative NMR incl. uncertainty and expiry are given in the certificate.Download your certificate at: http://www.sigma-aldrich.com.
法律信息
TraceCERT 注册商标 Sigma-Aldrich Co. LLC
Sigma Aldrich -  PS86 external link
Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Toronto Research Chemicals -  M111000 external link
Used as an insecticide.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Baker EL Jr, Warren M, Zack M, Dobbin RD, Miles JW, Miller S, Alderman L, Teeters WR: Epidemic malathion poisoning in Pakistan malaria workers. Lancet. 1978 Jan 7;1(8054):31-4. Pubmed
  • Bonner MR, Coble J, Blair A, Beane Freeman LE, Hoppin JA, Sandler DP, Alavanja MC: Malathion exposure and the incidence of cancer in the agricultural health study. Am J Epidemiol. 2007 Nov 1;166(9):1023-34. Epub 2007 Aug 23. Pubmed
  • Edwards JW, Lee SG, Heath LM, Pisaniello DL: Worker exposure and a risk assessment of malathion and fenthion used in the control of Mediterranean fruit fly in South Australia. Environ Res. 2007 Jan;103(1):38-45. Epub 2006 Aug 17. Pubmed
正在搜索,请耐心等待...(如果遇到网页错误或者长时间没有结果,请刷新页面[F5])

专利

专利

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

互联网资源

互联网资源

百度图标百度 google iconGoogle