炔丙环己酯

密度：

1.08g/cm3

沸点：

304.6ºC at 760mmHg

闪点：

138.5ºC

折射率：

1.503

海关代码：

2924299090

CHEMICAL IDENTIFICATION

RTECS NUMBER :

FD1150000

CHEMICAL NAME :

Carbamic acid, 1-(2-propynyl)cyclohexyl ester

CAS REGISTRY NUMBER :

358-52-1

BEILSTEIN REFERENCE NO. :

3253991

LAST UPDATED :

199612

DATA ITEMS CITED :

5

MOLECULAR FORMULA :

C10-H15-N-O2

MOLECULAR WEIGHT :

181.26

WISWESSER LINE NOTATION :

L6TJ AOVZ A2UU1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - woman

DOSE/DURATION :

800 mg/kg

TOXIC EFFECTS :

Behavioral - coma Lungs, Thorax, or Respiration - cyanosis Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)

REFERENCE :

MTAEEB Medical Toxicology and Adverse Drug Experience. (Adis International Ltd., Private Baq 65901, Mairangi Bay, Auckland 10, N.Z.) V.4- 1989- Volume(issue)/page/year: 4,295,1989

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human

DOSE/DURATION :

228 mg/kg

TOXIC EFFECTS :

Behavioral - general anesthetic Vascular - BP lowering not characterized in autonomic section Nutritional and Gross Metabolic - body temperature decrease

REFERENCE :

BMJOAE British Medical Journal. (British Medical Assoc., BMA House, Tavistock Sq., London WC1H 9JR, UK) V.1- 1857- Volume(issue)/page/year: 1,1593,1978

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human - woman

DOSE/DURATION :

286 mg/kg/36H-I

TOXIC EFFECTS :

Behavioral - coma Vascular - BP lowering not characterized in autonomic section Lungs, Thorax, or Respiration - dyspnea

REFERENCE :

MTAEEB Medical Toxicology and Adverse Drug Experience. (Adis International Ltd., Private Baq 65901, Mairangi Bay, Auckland 10, N.Z.) V.4- 1989- Volume(issue)/page/year: 4,295,1989

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

900 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,414,1972

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

450 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,414,1972

中国海关编码：2924299090

概述：

2924299090. 其他环酰胺（包括环氨基甲酸酯）（包括其衍生物以及他们的盐）. 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, 包装

摘要/Summary：

2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

计算化学数据

1.疏水参数计算参考值（XlogP）:1.7

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:3

5.互变异构体数量:2

6.拓扑分子极性表面积:52.3

7.重原子数量:13

8.表面电荷:0

9.复杂度:233

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