硫氰酸辛酯

硫氰酸辛酯 基本信息
CAS号 19942-78-0 分子式 C9H17NS
分子量 171.30300 精确质量 　171.10800
PSA 　49.09000 LogP 　3.56118
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目录
基本信息 物化性质 合成路线 毒性 上下游

基本信息 展开↓

CAS号：
19942-78-0
分子式：
C9H17NS
分子量：
171.30300
中文名称：
硫氰酸辛酯
英文名称：
octyl thiocyanate
中文别名：
硫氰酸辛酯
英文别名：
octyl thiocyanate;
n-Octyl thiocyanate;
octylthiocyanate;
1-thiocyanatooctane;
THIOCYANIC ACID,OCTYL ESTER;
Octyl rhodanate;
EINECS 243-436-9;
octylsulfanyl cyanate
精确分子量/精确质量：
171.10800
极性分子表面积/PSA：
49.09000
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：
243-436-9

物化性质展开↓

密度：
0.8625
熔点：
21ºC
沸点：
170ºC
闪点：
184ºC
折射率：
1.472
蒸汽压：
0.0222mmHg at 25°C

合成路线查看所有的合成路线

  • 111-83-1

    溴辛烷

  • +

  • 333-20-0

    硫氰酸钾

  • →

    ~99%

  • 19942-78-0

    硫氰酸辛酯

  • 70690-19-6

    2-辛氧基四氢-2H-吡喃

  • +

  • 1147550-11-5

    1147550-11-5

  • →

    ~97%

  • 19942-78-0

    硫氰酸辛酯

  • +

  • 4430-45-9

    1-异硫代氰酸辛酯

  • 111-83-1

    溴辛烷

  • →

    ~95%

  • 19942-78-0

    硫氰酸辛酯

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XL1650000
CHEMICAL NAME :
Thiocyanic acid, octyl ester
CAS REGISTRY NUMBER :
19942-78-0
BEILSTEIN REFERENCE NO. :
1755531
LAST UPDATED :
199612
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C9-H17-N-S
MOLECULAR WEIGHT :
171.33
WISWESSER LINE NOTATION :
NCS8

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1368 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
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 :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
2280 mg/kg
TOXIC EFFECTS :
Brain and Coverings - changes in circulation (hemorrhage, thrombosis, etc.) Behavioral - somnolence (general depressed activity) 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 :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5016 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 :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
133 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 :
730 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 :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
264 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 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5472 mg/kg/2W-I
TOXIC EFFECTS :
Brain and Coverings - other degenerative changes Gastrointestinal - ulceration or bleeding from stomach
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

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