丁氧硫氰醚
- 中文名称：
- 丁氧硫氰醚
- 中文别名：
- 丁氧硫氰醚;
LETHANE 384;
2-(2-丁氧基乙氧基)-硫氰酸乙酯
- 英文名称：
- Thiocyanic acid,2-(2-butoxyethoxy)ethyl ester
- 英文别名：
- 2-(2-butoxyethoxy)ethyl thiocyanate;
ENT 6;
Lethane 384;
Lethane;
2-Butyloxy-2'-thiocyanato-diaethylaether;
2-butoxy-2'-thiocyanodiethyl ether;
Butyl carbitol rhodanate;
LETHANE 384;
2-(2-BUTOXYETHOXY)-ETHYL THIOCYANATE;
Caswell No. 084;
Butyl carbitol thiocyanate;
Butoxyrhodanodiethyl ether
- CAS No.：
- 112-56-1
- 分 子 式：
-
C9H17NO2S
- 分 子 量：
- 203.3
- 精确分子量：
- 203.09800
- PSA：
- 67.55000
- EINECS：
- 203-985-7
- InChI：
- The Key: JVGPVVUTUMQJKL-UHFFFAOYSA-N3
- 危险品标志：
-
- 风险术语：
-
R10R24/25
- 安全术语：
-
S13S45S36/S37
- 分子结构式：
-
- SDS：
- 查看
丁氧硫氰醚 物化性质
- 密度：
- 1.031g/cm3
- 沸点：
- 296.9ºC at 760 mmHg
- 闪点：
- 133.3ºC
- 折射率：
- 1.471
- 蒸汽压：
- 0.0014mmHg at 25°C
- 存储条件/存储方法：
- 库房通风低温干燥,与食品原料分开储运
丁氧硫氰醚 安全信息
- 包装等级：
- III
- 风险类别：
- 6.1(b)
- 海关代码：
- 2930909090
- 危险类别码：
- 10-24/25
- 安全标志：
- S13:远离食品、饮料和动物饲料。
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）。
:
丁氧硫氰醚 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XK8400000
- CHEMICAL NAME :
- Thiocyanic acid, 2-(2-butoxyethoxy)ethyl ester
- CAS REGISTRY NUMBER :
- 112-56-1
- BEILSTEIN REFERENCE NO. :
- 1812307
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 22
- MOLECULAR FORMULA :
- C9-H17-N-O2-S
- MOLECULAR WEIGHT :
- 203.33
- WISWESSER LINE NOTATION :
- NCS2O2O4
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 :
- 90 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FMCHA2 Farm Chemicals Handbook. (Meister Pub., 37841 Euclid Ave.,
Willoughy, OH 44094) Volume(issue)/page/year: -,C182,1991
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- WRPCA2 World Review of Pest Control. (London, UK) V.1-10, 1962-71.
Discontinued. Volume(issue)/page/year: 9,119,1970
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 90 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - convulsions or effect on seizure threshold
Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- INMEAF Industrial Medicine. (Chicago, IL) V.1-18, 1932-49. For publisher
information, see IOHSA5. Volume(issue)/page/year: 11,-,1942
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 550 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - convulsions or effect on seizure threshold
Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- INMEAF Industrial Medicine. (Chicago, IL) V.1-18, 1932-49. For publisher
information, see IOHSA5. Volume(issue)/page/year: 11,-,1942
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 41 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PCBPBS Pesticide Biochemistry and Physiology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1971- Volume(issue)/page/year:
2,95,1972
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 203 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - convulsions or effect on seizure threshold
Lungs, Thorax, or Respiration - cyanosis
- REFERENCE :
- JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA)
V.18-31, 1936-49. For publisher information, see AEHLAU.
Volume(issue)/page/year: 18,310,1936
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 56 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#02402
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 30 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PCOC** Pesticide Chemicals Official Compendium, Association of the American
Pesticide Control Officials, Inc., 1966. (Topeka, KS)
Volume(issue)/page/year: -,657,1966
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 200 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Lungs, Thorax, or Respiration - respiratory stimulation
Gastrointestinal - nausea or vomiting
- REFERENCE :
- INMEAF Industrial Medicine. (Chicago, IL) V.1-18, 1932-49. For publisher
information, see IOHSA5. Volume(issue)/page/year: 11,-,1942
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - cat
- DOSE/DURATION :
- 102 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - convulsions or effect on seizure threshold
Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA)
V.18-31, 1936-49. For publisher information, see AEHLAU.
Volume(issue)/page/year: 18,310,1936
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 35 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams &
Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10-
Volume(issue)/page/year: 82,377,1944
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 34 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FMCHA2 Farm Chemicals Handbook. (Meister Pub., 37841 Euclid Ave.,
Willoughy, OH 44094) Volume(issue)/page/year: -,C182,1991
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 80 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - convulsions or effect on seizure threshold
Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- INMEAF Industrial Medicine. (Chicago, IL) V.1-18, 1932-49. For publisher
information, see IOHSA5. Volume(issue)/page/year: 11,-,1942
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - convulsions or effect on seizure threshold
Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- INMEAF Industrial Medicine. (Chicago, IL) V.1-18, 1932-49. For publisher
information, see IOHSA5. Volume(issue)/page/year: 11,-,1942
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- PCOC** Pesticide Chemicals Official Compendium, Association of the American
Pesticide Control Officials, Inc., 1966. (Topeka, KS)
Volume(issue)/page/year: -,657,1966
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 84 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - convulsions or effect on seizure threshold
Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- INMEAF Industrial Medicine. (Chicago, IL) V.1-18, 1932-49. For publisher
information, see IOHSA5. Volume(issue)/page/year: 11,-,1942
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 450 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity)
Behavioral - convulsions or effect on seizure threshold
Lungs, Thorax, or Respiration - respiratory stimulation
- REFERENCE :
- INMEAF Industrial Medicine. (Chicago, IL) V.1-18, 1932-49. For publisher
information, see IOHSA5. Volume(issue)/page/year: 11,-,1942
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- 550 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: -,256,1971
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1829 mg/kg/2W-I
- TOXIC EFFECTS :
- Lungs, Thorax, or Respiration - other changes
Gastrointestinal - other changes
Kidney, Ureter, Bladder - changes in tubules (including acute renal failure,
acute tubular necrosis)
- REFERENCE :
- JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA)
V.18-31, 1936-49. For publisher information, see AEHLAU.
Volume(issue)/page/year: 18,310,1936
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Administration onto the skin
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 800 uL/kg/8D-I
- TOXIC EFFECTS :
- Related to Chronic Data - death
- REFERENCE :
- JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams &
Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10-
Volume(issue)/page/year: 82,377,1944
*** 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
*** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA ***
NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA :
NOHS - National Occupational Hazard Survey (1974)
NOHS Hazard Code - A1590
No. of Facilities: 33 (estimated)
No. of Industries: 1
No. of Occupations: 1
No. of Employees: 297 (estimated)
丁氧硫氰醚 海关数据
中国海关编码：2930909090
- 概述：
- 2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%
- 申报要素：
- 品名, 成分含量, 用途
- 摘要/Summary：
- 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
丁氧硫氰醚 分子结构与计算化学数据
分子结构数据
五、分子性质数据：
1、 摩尔折射率：55.14
2、 摩尔体积（m3/mol）：197.1
3、 等张比容（90.2K）：488.5
4、 表面张力（dyne/cm）：37.6
5、 极化率（10-24cm3）：21.86
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:4
4.可旋转化学键数量:9
5.互变异构体数量:无
6.拓扑分子极性表面积67.6
7.重原子数量:13
8.表面电荷:0
9.复杂度:144
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
