α-茄啶(马铃薯新芽)

密度：

1.4g/cm3

熔点：

285℃ (dec.)

折射率：

1.631

存储条件/存储方法：

充氩密封0ºC以下干燥避光保存。

其它信息：

1. 性状：结晶。

2. 密度（g/mL,25/4℃）：未确定

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：286

5. 沸点（ºC,常压）：未确定

6. 沸点（ºC,5.2kPa）： 未确定

7. 折射率： 未确定

8. 闪点（ºC）： 未确定

9. 比旋光度（º）： 未确定

10. 自燃点或引燃温度（ºC）： 未确定

11. 蒸气压（kPa,25ºC）： 未确定

12. 饱和蒸气压（kPa,60ºC）： 未确定

13. 燃烧热（KJ/mol）：未确定

14. 临界温度（ºC）： 未确定

15. 临界压力（KPa）： 未确定

16. 油水（辛醇/水）分配系数的对数值： 未确定

17. 爆炸上限（%,V/V）：未确定

18. 爆炸下限（%,V/V）： 未确定

19. 溶解性：易溶于热乙醇，几乎不溶于水、乙醚和氯仿。

包装等级：

III

风险类别：

6.1(b)

危险类别码：

22

安全标志：

S1:保持封闭。
S25:避免接触眼睛。
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）。

危险标志：

Xn: Harmful;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

WF0250000

CHEMICAL NAME :

Solanid-5-ene, 3-beta-((O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-(be ta-D-glucopyranosyl- (1-3))-beta-D-galactopyranosyl)oxy)-

CAS REGISTRY NUMBER :

20562-02-1

BEILSTEIN REFERENCE NO. :

0077607

LAST UPDATED :

199612

DATA ITEMS CITED :

19

MOLECULAR FORMULA :

C45-H73-N-O15

MOLECULAR WEIGHT :

868.19

WISWESSER LINE NOTATION :

T H6 F5 E5 B666 MN SUTJ A1 E1 G1 K1 VO- BT6OTJ EQ F1Q CO- BT6OTJ CQ DQ EQ F1& DO- BT6OTJ CQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Human

DOSE/DURATION :

2800 ug/kg

TOXIC EFFECTS :

Behavioral - headache Gastrointestinal - gastritis Nutritional and Gross Metabolic - body temperature increase

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Unreported

SPECIES OBSERVED :

Human - man

DOSE/DURATION :

2941 ug/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

590 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

67 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

32 mg/kg

TOXIC EFFECTS :

Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - hypermotility, diarrhea

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

20 mg/kg

TOXIC EFFECTS :

Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - respiratory stimulation

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

5 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

10 mg/kg

TOXIC EFFECTS :

Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - respiratory stimulation

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Mammal - domestic

DOSE/DURATION :

500 mg/kg

TOXIC EFFECTS :

Cardiac - pulse rate increase, without fall in BP Lungs, Thorax, or Respiration - cyanosis

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Mammal - domestic

DOSE/DURATION :

50 mg/kg

TOXIC EFFECTS :

Cardiac - pulse rate increase, without fall in BP Lungs, Thorax, or Respiration - cyanosis

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

80 mg/kg/2D-I

TOXIC EFFECTS :

Related to Chronic Data - death

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

40 mg/kg

SEX/DURATION :

female 5-12 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - urogenital system Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

40 mg/kg

SEX/DURATION :

female 5-12 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

80 mg/kg

SEX/DURATION :

female 5-12 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Intraperitoneal

DOSE :

100 mg/kg

SEX/DURATION :

female 7-11 day(s) after conception

TOXIC EFFECTS :

Reproductive - Fertility - other measures of fertility

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

200 mg/kg

SEX/DURATION :

female 8 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - Central Nervous System

MUTATION DATA

TEST SYSTEM :

Rodent - mouse

DOSE/DURATION :

330 mg/kg/3D (Continuous)

REFERENCE :

FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 33,191,1995 *** REVIEWS *** TOXICOLOGY REVIEW FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 17,61,1979

分子结构数据

1、   摩尔折射率：219.35

2、   摩尔体积(m³/mol)：615.6

3、   等张比容(90.2K)：1796.6

4、   表面张力(dyne/cm)：72.5

5、   极化率(10-24cm³)：86.95

计算化学数据

1、 疏水参数计算参考值（XlogP）:1.8

2、 氢键供体数量：9

3、 氢键受体数量：16

4、 可旋转化学键数量:8

5、 互变异构体数量：

6、 拓扑分子极性表面积（TPSA）:241

7、 重原子数量：61

8、 表面电荷：0

9、 复杂度：1590

10、 同位素原子数量：0

11、 确定原子立构中心数量：25

12、 不确定原子立构中心数量：1

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