甘草酸铵 基本信息 | |||
---|---|---|---|
CAS号 | 53956-04-0 | 分子式 | C42H68N2O16 |
分子量 | 856.99300 | 精确质量 | 856.45700 |
PSA | 272.70000 | LogP | 0.32860 |
制备方法
以甘草酸粗品(含量约50%,重量法)为原料,酸性乙醇为提取剂,精制而得。将50g甘草酸粗品加入盐酸酸化的95%的乙醇170mL(Ph值3.5~4.0),在40~50℃下搅拌提取4h。过滤后滤渣用100mL乙醇在同样条件下提取3h。合并提取液,搅拌下滴加氨水或通入氨气,使溶液Ph值为7.2~7.5,室温静置0.5h使完全沉淀。沉淀为甘草酸三铵盐,用适量的冰醋酸使之分散调成糊状,必要时微微加热,静置1h后过滤,使其转化为一铵盐。结晶分离后用少量的冰醋酸洗涤1~2次,得浅黄色粗品。用75%乙醇进行活性炭脱色重结晶,得白色结晶15.5g,收率61%,纯度≥98%。合成制备方法
以甘草酸粗品为原料,酸性乙醇为提取剂,精制即可。
用途
我国规定可用于饮料、调味剂、饼干、糖果、凉果和肉类罐头,按生产需要适量使用。
CAS号:53956-04-0
3D弹球模型: 立即前往扯扯看
分子式:C42H68N2O16
分子量:856.99300
中文名称:甘草酸铵
英文名称:Glycyrrhizic acid ammonium salt
中文别名:甘草酸铵;
甘草酸单铵水合物;
甘草酸单铵盐;
甘草酸一铵盐水合物;
甘草酸单氨
英文别名:Glycyrrhizic acid ammonium salt;
glycyrrhizic acid monoammonium salt;
Magnasweet;
GLYCYRRHIZIC ACID,NH4;
ammonium glycyrrhizinate;
ammoniate;
AMMONIUMGLYCYRRHIZIN;
Ammoniumglycynhizinato;
Glycyrrhizic Acid Monoammonium Salt Hydrate;
Glycyrrhizin Monoammonium Salt Hydrate;
ammoniumglycyrrhizate;
Monoammonium Glycyrrhizinate Hydrate;
Glycyrrhizin ammonium;
GLYCYRRHIZICAMMONIUM;
Glycyrrhizate monoammonium;
Monoammoniumglycyrrhizinate;
Ammonium glycyrrhizinate;
Glycyrrhiz;
GLYCAMIL;
Ammonium glycyrrhizate;
Glycyrrhizic acid monoammonium salt trihydrate;
glycyrram
精确分子量/精确质量:856.45700
极性分子表面积/PSA:272.70000
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。
贝尔斯坦号/MDL:MFCD00167400
EINECS:258-887-7
PubChem:24895085
BRN:3897076
InChI:InChI=1/C42H62O16.H3N/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,
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。
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
声明:该栏目及页面中图片、产品参数数据来源于互联网,仅供用于参考了解化学品信息,不等同凯茵化工实际销售产品。
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