甲基锡三(巯基乙酸异辛酯)

甲基锡三(巯基乙酸异辛酯) 基本信息
CAS号 57583-34-3 分子式 C31H60O6S3Sn
分子量 743.70000 精确质量  744.25700
PSA  154.80000 LogP  9.03350

基本信息 展开↓

CAS号:
57583-34-3
3D弹球模型:
立即前往扯扯看
分子式:
C31H60O6S3Sn
分子量:
743.70000
中文名称:
甲基锡三(巯基乙酸异辛酯)
英文名称:
2-ethylhexyl 2-[bis[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl]-methylstannyl]sulfanylacetate
中文别名:
甲基锡三(巯基乙酸异辛酯);
硫醇甲基锡
英文别名:
2-ethylhexyl 2-[bis[[2-(2-ethylhexoxy)-2-oxoethyl]sulfanyl]-methylstannyl]sulfanylacetate;
2-(2-ethylhexoxy)-2-oxo-ethanethiolate;
methyltin;
2-ethylhexyl 10-ethyl-4-[[2-[(2-ethylhexyl)oxy]-2-oxoethyl]thio]-4-methyl-7-oxo-8-oxa-3,5-dithia-4-stannatetradecanoate;
cinnamyl acetoacetate;
(2-Hydroxyethyl)Methylcarbamic Acid 1,1-Dimethylethyl Ester;
N-(tert.-Butoxycarbonyl)-N-methylethanolamine;
2-Chloro-4-nitroimidazole;
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol;
Prenalterol;
Gunjo 8000;
Gunjo AP 201;
Levanox Ultramarine 3113LF;
Sanylene Blue 39-93;
Sicomet Blue P 77007;
Ultrablue;
BluepigmentVN-3293;
c.i.pigmentblue29(ultramarineblue);
LAUNDRY BLUE;
FRENCH BLUE;
Pigment Blue 29;
Ethyl p-(6-guanidinohexanoyloxy) benzoate methanesulfonate;
4-((6-((aminoiminomethyl)amino)-1-oxohexyl)oxyl)benzoic acid ethyl ester mesylate salt;
gabexate mesylate
精确分子量/精确质量:
744.25700
极性分子表面积/PSA:
154.80000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
260-828-5
InChI:
InChI=1/3C10H20O2S.CH3.Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;;/h3*9,13H,3-8H2,1-2H3;1H3;/q;;;;+3/p-3/r3C10H20O2S.CH3Sn/c3*1-3-5-6-9(4-2)7-12-10(11)8-13;1-2/h3*9,13H,3-8H2,1-2H3;1H3/q;;;+3/p-3

物化性质展开↓

沸点:
270.9ºC at 760mmHg
闪点:
137.4ºC

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WH8586000
CHEMICAL NAME :
Stannane, methyltris(2-ethylhexyloxycarbonylmethylthio)-
CAS REGISTRY NUMBER :
57583-34-3
LAST UPDATED :
199712
DATA ITEMS CITED :
27
MOLECULAR FORMULA :
C31-H60-O6-S3-Sn
MOLECULAR WEIGHT :
743.78
WISWESSER LINE NOTATION :
4Y2&1OV1S-SN-1&S1VO1Y4&2&S1VO1Y4&2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
920 mg/kg
REFERENCE :
TRIPA7 Tin Research Institute, Publication. (Middlesex, UK) 1934-76. For publisher information, see IRIPDP. Volume(issue)/page/year: -,1,1973 *** REVIEWS *** ACGIH TLV-TWA 0.1 mg(Sn)/m3;STEL 0.2 mg/m3 (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 ACGIH TLV-Not classifiable as a human carcinogen DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 0.1 mg(Sn)/m3 DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,258,1971 OSHA PEL (Gen Indu):8H TWA 0.1 mg(Sn)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 0.1 mg(Sn)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 0.1 mg(Sn)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 0.1 mg(Sn)/m3 CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-AUSTRALIA:TWA 0.1 mg(Sn)/m3;Skin JAN 1993 OEL-BELGIUM:TWA 0.1 mg(Sn)/m3;Skin JAN 1993 OEL-DENMARK:TWA 0.1 mg(Sn)/m3;Skin JAN 1993 OEL-FINLAND:TWA 0.1 mg(Sn)/m3;STEL 0.3 mg(Sn)/m3;Skin JAN 1993 OEL-FRANCE:TWA 0.1 mg(Sn)/m3;STEL 0.2 mg(Sn)/m3 JAN 1993 OEL-GERMANY:TWA 0.1 mg(Sn)/m3;Skin JAN 1993 OEL-HUNGARY:STEL 0.1 mg(Sn)/m3;Skin JAN 1993 OEL-THE NETHERLANDS:TWA 0.1 mg(Sn)/m3;Skin JAN 1993 OEL-THE PHILIPPINES:TWA 0.1 mg(Sn)/m3 JAN 1993 OEL-SWEDEN:TWA 0.1 mg(Sn)/m3;STEL 0.2 mg(Sn)/m3;Skin JAN 1993 OEL-SWITZERLAND:TWA 0.1 mg(Sn)/m3;STEL 0.2 mg(Sn)/m3;Skin JAN 1993 OEL-THAILAND:TWA 0.1 mg(Sn)/m3 JAN 1993 OEL-UNITED KINGDOM:TWA 0.1 mg(Sn)/m3;STEL 0.2 mg(Sn)/m3;Skin JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO ORGANOTIN COMPOUND-air:10H TWA 0.1 mg(Sn)/m3 REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1027 No. of Facilities: 135 (estimated) No. of Industries: 2 No. of Occupations: 7 No. of Employees: 2863 (estimated) No. of Female Employees: 1884 (estimated)

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:9

4.可旋转化学键数量:30

5.互变异构体数量:无

6.拓扑分子极性表面积:155

7.重原子数量:41

8.表面电荷:0

9.复杂度:608

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:3

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

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