三正丁基乙酸锡

三正丁基乙酸锡 基本信息
CAS号 56-36-0 分子式 C14H30O2Sn
分子量 349.08800 精确质量  350.12700
PSA  26.30000 LogP  4.89530

基本信息 展开↓

CAS号:
56-36-0
3D弹球模型:
立即前往扯扯看
分子式:
C14H30O2Sn
分子量:
349.08800
中文名称:
三正丁基乙酸锡
英文名称:
tributylstannyl acetate
中文别名:
三正丁基乙酸锡;
醋酸三丁锡
英文别名:
tributylstannyl acetate;
Tributylacetoxystannane;
Tribuyltin acetate;
Acetoxytributyltin;
Stannane,acetoxytributyl;
Tri-n-butyltin acetate;
Tin,acetoxytributyl;
Stannane,(acetyloxy)tributyl;
Acetoxytributylstannane;
tributyltin acetate;
tin tributylacetate;
(acetyloxy)tributyl-stannane
精确分子量/精确质量:
350.12700
极性分子表面积/PSA:
26.30000
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。
贝尔斯坦号/MDL:
MFCD00015228
EINECS:
200-269-6
InChI:
The Key: PWBHRVGYSMBMIO-UHFFFAOYSA-M

物化性质展开↓

密度:
1,27 g/cm3
熔点:
80-83 °C(lit.)
沸点:
120 °C / 2mmHg
闪点:
120 °C
存储条件/存储方法:
库房低温,通风,干燥,与食品原料分开存放

安全信息展开↓

包装等级:
III
风险类别:
6.1
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
21-25-36/38-48/23/25-50/53
安全说明:
S35-S36/37/39-S45-S60-S61
RTECS号:
WH5775000
安全标志:
S35:本物质残余以及它的容器必须用安全方式处置。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
S60:本物质残余物和容器必须作为危险废物处理。
S61:避免排放到环境中。参考专门的说明/安全数据表。
:
危险标志:
T,N

合成路线查看所有的合成路线

  • 56-35-9

    三丁基氧化锡

  • ~98%

  • 56-36-0

    三正丁基乙酸锡

  • 1067-52-3

    三正丁基甲氧基锡

  • +

  • 108-24-7

    乙酸酐

  • ~89%

  • 56-36-0

    三正丁基乙酸锡

  • 1067-52-3

    三正丁基甲氧基锡

  • ~88%

  • 56-36-0

    三正丁基乙酸锡

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
WH5775000
CHEMICAL NAME :
Stannane, acetoxytributyl-
CAS REGISTRY NUMBER :
56-36-0
LAST UPDATED :
199712
DATA ITEMS CITED :
38
MOLECULAR FORMULA :
C14-H30-O2-Sn
MOLECULAR WEIGHT :
349.13
WISWESSER LINE NOTATION :
4-SN-4&4&OV1

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 :
99 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 56,240,1967
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 10,16,1955
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
46 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ATXKA8 Archiv fuer Toxikologie. (Berlin, Fed. Rep. Ger.) V.15-31, 1954-74. For publisher information, see ARTODN. Volume(issue)/page/year: 23,283,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#01672
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
40 mg/kg
TOXIC EFFECTS :
Gastrointestinal - other changes
REFERENCE :
BJIMAG British Journal of Industrial Medicine. (British Medical Journal, Box 560B, Kennebunkport, ME 04046) V.1- 1944- Volume(issue)/page/year: 15,15,1958
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 10,16,1955
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GTPZAB Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1-36, 1957-1992. For publisher information, see MTPEEI Volume(issue)/page/year: 32(9),50,1988
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
30ZDA9 "Chemistry of Pesticides," Melnikov, N.N., New York, Springer-Verlag New York, Inc., 1971 Volume(issue)/page/year: -,301,1971 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
630 mg/kg/12W-C
TOXIC EFFECTS :
Spinal Cord - other degenerative changes Related to Chronic Data - death
REFERENCE :
BJIMAG British Journal of Industrial Medicine. (British Medical Journal, Box 560B, Kennebunkport, ME 04046) V.1- 1944- Volume(issue)/page/year: 15,15,1958 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
176 mg/kg
SEX/DURATION :
female 7-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 55,109,1991
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
176 mg/kg
SEX/DURATION :
female 7-17 day(s) after conception
REFERENCE :
TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 55,109,1991 *** 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 TOXICOLOGY REVIEW EVHPAZ EHP, Environmental Health Perspectives. (U.S. Government Printing Office, Supt of Documents, Washington, DC 20402) No.1- 1972- Volume(issue)/page/year: 4,61,1973 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989 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 - E0274 No. of Facilities: 76 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 685 (estimated)

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Tri-n-butyltin acetate, 98%    
   CAS Registry Number:       56-36-0    
   Formula:       (C4H9)3SnOOCCH3    
   EINECS Number:       200-269-6    
   Chemical Family:       organotin compound    
   Synonym:       Acetoxytributylstanne, Tributylstannyl acetate, Tri-n-butyltin acetate    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       56-36-0       100%       0.1mg/m3       0.1mg/m3    

Section 3: Hazards Identification
   Organo tin compounds may act as delayed poisons, causing headache, dizziness; psycho-neurologic
   Emergency Overview:
   disturbances; sore throat, vomiting; urine retention; vision impairment; skin burns, liver and kidney damage.
   Primary Routes of Exposure:       Ingestion, inhalation, skin, eyes    
   Eye Contact:       Causes irritation of the eyes.    
   Skin Contact:       Causes irritation of the skin. Prolonged contact may dry the skin and lead to rashes or more severe irritation.    
   Irritating to the nose, mucous membranes and respiratory tract. High doses may cause long term neurological
   Inhalation:
   damage.
   Delayed and permanent psycho-neurologic disturbances; impairment of vision, unsteadiness, nausea and
   Ingestion:
   vomiting. Toxic if swallowed.
   Irritating to skin, eyes and mucous membranes. Ingestion of certain organotin compounds may cause delayed
   Acute Health Affects:
   poisoning (4 days) with cerebral edema causing damage to the central nervous system.
   Repeated exposure to certain organic tin compounds may cause problems with vision, skin, respiratory
   Chronic Health Affects:
   system, central nervous system, liver, kidneys, urinary tract, and blood.
   NTP:       No    
   IARC:       No    
   OSHA:       No    

SECTION 4: First Aid Measures
   Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
   Skin Exposure:
   irritation persists.
   Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
   Inhalation:
   in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
   Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
   Ingestion:
   vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
   Flash Point:       no data    
   Autoignition Temperature:       no data    
   Explosion Limits:       no data    
   Extinguishing Medium:       carbon dioxide or dry powder    
   Fire fighters should be equipped with a NIOSH approved positive pressure self-contained breathing apparatus
   Special Fire Fighting Procedures:
   and full protective clothing.
   Hazardous Combustion and       carbon monoxide, carbon dioxide, soot, organic fumes and tin compounds.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Small spills can be mixed with vermiculite, ground limestone, sodium carbonate or other suitable
   Spill and Leak Procedures:
   noncombustible adsorbent and swept up.

SECTION 7: Handling and Storage
   Handling and Storage:       Store in a cool, dry, well ventilated area away from heat and direct sunlight. Keep containers tightly sealed.    

SECTION 8: Exposure Controls and Personal Protection
   Eye Protection:       Always wear approved safety glasses when handling a chemical substance in the laboratory.    
   Skin Protection:       Wear protective clothing and gloves. Consult with glove manufacturer to determine the proper type of glove.    
   Ventilation:       Work with this product in a well-ventilated area, preferably a fume hood.    
   If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       Work with this product in a well-ventilated area, preferably a fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       white pwdr.    
   Molecular Weight:       349.08    
   Melting Point:       87°    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       1.27    
   Odor:       not determined    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       moisture sensitive    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       strong oxidizing agents and halogens    
   Decomposition Products:       carbon monoxide, carbon dioxide, tin oxide, organic fumes.    

SECTION 11: Toxicological Information
   Oral (rat); LD50: 99 mg/kg. Intraperitoneal (rat); LDLo: 10 mg/kg. Oral (mouse); LD50: 46 mg/kg. Intravenous
   (mouse); LD50: 180 mg/kg. Oral (rabbit); LDLo: 40 mg/kg. Oral (guinea pig); LDLo: 20 mg/kg. Administration
   RTECS Data:       onto the skin (mammal-species unspecified); LD50: >5 gm/kg. Unreported (mammal-species unspecified);    
   LD50: 500 mg/kg. Oral (rat); TDLo: 630 mg/kg/12W-C. Oral (rat); TDLo: 176 mg/kg. Oral (rat); TDLo: 176
   mg/kg.
   Carcinogenic Effects:       No data available    
   Mutagenic Effects:       No data available    
   Tetratogenic Effects:       Possible reproductive effector    

SECTION 12: Ecological Information
   Ecological Information:       No information available    

SECTION 13: Disposal Considerations
   Disposal:       Dispose of according to federal, state, and local regulations.    

SECTION 14: Transportation
   Shipping Name (CFR):       Organotin compounds, solid, N.O.S.    
   Hazard Class (CFR):       6.1    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       III    
   UN ID Number (CFR):       UN# 3146    
   Shipping Name (IATA):       Organotin compound, solid, N.O.S.    
   Hazard Class (IATA):       6.1    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       III    
   UN ID Number (IATA):       UN# 3146    

SECTION 15: Regulatory Information
   TSCA:       Not listed in the TSCA inventory.    
   SARA (Title 313):       Title compound not listed.    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

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:2

4.可旋转化学键数量:11

5.互变异构体数量:无

6.拓扑分子极性表面积26.3

7.重原子数量:17

8.表面电荷:0

9.复杂度:183

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:0

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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