甘草酸铵

外观与性状：

白色结晶粉末

密度：

1.43g/cm3

熔点：

209ºC

沸点：

971.4ºC at 760mmHg

闪点：

288.1ºC

存储条件/存储方法：

密封、在2 ºC -8 ºC下保存

稳定性相关：

如果遵照规格使用和储存则不会分解，未有已知危险反应

        

其它信息：

1.       性状：粉末

2.       密度（g/mL,20ºC）：未确定

3.       相对蒸汽密度（g/mL,空气=1）： 未确定

4.       熔点（ºC）：212-217

5.       沸点（ºC）：未确定

6.       沸点（ºC，1mm hg）：未确定

7.       折射率：49 ° (C=1.5, EtOH)

8.       闪点（°F）：未确定

9.       比旋光度（ºC）：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：未确定

CHEMICAL IDENTIFICATION

RTECS NUMBER :

LZ6500000

CHEMICAL NAME :

alpha-D-Glucopyranosiduronic acid, (3-beta,20-beta)-20-carboxy-11-oxo-30-norolean-12-en- 3-yl 2-O-beta-D-glucopyranuronosyl-, ammoniate

CAS REGISTRY NUMBER :

53956-04-0

LAST UPDATED :

199712

DATA ITEMS CITED :

14

MOLECULAR FORMULA :

C42-H62-O16.H3-N

MOLECULAR WEIGHT :

840.08

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 :

>10 gm/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 :

>300 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 :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

9818 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 :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1 gm/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 :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

540 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

224 mg/kg/26W-C

TOXIC EFFECTS :

Cardiac - changes in heart weight Kidney, Ureter, Bladder - changes in bladder weight Endocrine - changes in adrenal weight

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

840 mg/kg/30D-I

TOXIC EFFECTS :

Liver - hepatitis (hepatocellular necrosis), diffuse Blood - changes in leukocyte (WBC) count Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - phosphatases

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

350 gm/kg

SEX/DURATION :

male 10 week(s) pre-mating

TOXIC EFFECTS :

Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

235 mg/kg

SEX/DURATION :

female 7-17 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - musculoskeletal system

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Oral

DOSE :

7479 mg/kg

SEX/DURATION :

female 7-17 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - urogenital system Reproductive - Specific Developmental Abnormalities - other developmental abnormalities

TYPE OF TEST :

Dominant lethal test

MUTATION DATA

TEST SYSTEM :

Rodent - mouse

DOSE/DURATION :

350 gm/kg/10W (Continuous)

REFERENCE :

NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: PB279-650 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5765 No. of Facilities: 3 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 221 (estimated) No. of Female Employees: 144 (estimated)

毒理学数据：

  1、急性毒性：大鼠经口LD50：>10mg/kg；大鼠腹膜腔LD50：>300mg/kg；小鼠经口LD50：9818mg/kg；小鼠腹膜腔LDL0：1mg/kg；小鼠静脉注射LD50：540mg/kg；

生态数据：

对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

计算化学数据

1、   疏水参数计算参考值（XlogP）：

2、   氢键供体数量：9

3、   氢键受体数量：17

4、   可旋转化学键数量：7

5、   互变异构体数量：5

6、   拓扑分子极性表面积（TPSA）：268

7、   重原子数量：59

8、   表面电荷：0

9、   复杂度：1730

10、同位素原子数量：0

11、确定原子立构中心数量：19

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：2

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  甘草酸单铵盐水合物红外图谱(IR1)
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  甘草酸单铵盐水合物红外图谱(IR2)