月桂醇磺基乙酸酯钠盐

月桂醇磺基乙酸酯钠盐 基本信息
CAS号 1847-58-1 分子式 C14H27NaO5S
分子量 330.41600 精确质量  330.14800
PSA  91.88000 LogP  4.07650

基本信息 展开↓

CAS号:
1847-58-1
3D弹球模型:
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分子式:
C14H27NaO5S
分子量:
330.41600
中文名称:
月桂醇磺基乙酸酯钠盐
英文名称:
Sodium new houttuyfonate
中文别名:
月桂醇磺基乙酸酯钠盐;
磺化乙酸十二烷基酯钠
英文别名:
Sodium new houttuyfonate;
Dodecyl sodium sulfoacetate;
2-Sulfoacetic acid dodecyl ester sodium salt;
Sodium lauryl sulfoacetate;
Dodecyloxycarbonylmethanesulfonic acid sodium salt
精确分子量/精确质量:
330.14800
极性分子表面积/PSA:
91.88000
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:
217-431-7
InChI:
InChI=1/C14H28O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-19-14(15)13-20(16,17)18;/h2-13H2,1H3,(H,16,17,18);/q;+1

生产制备方法及用途展开↓

制备方法


抗菌消炎药,用于上呼吸道感染、慢性支气管炎、肺炎等病的治疗。

用途简介


安全信息展开↓

海关代码:
2914509090

合成路线查看所有的合成路线

  • 112-53-8

    十二醇

  • 1847-58-1

    月桂醇磺基乙酸酯钠盐

  • 3674-07-5

    dodecyl 2-bromoacetate

  • 1847-58-1

    月桂醇磺基乙酸酯钠盐

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AJ4930000
CHEMICAL NAME :
Acetic acid, sulfo-, 1-dodecyl ester, sodium salt
CAS REGISTRY NUMBER :
1847-58-1
LAST UPDATED :
199701
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C14-H27-O5-S.Na
MOLECULAR WEIGHT :
330.46

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 6(3),261,1987
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 6(3),261,1987 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
700 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 6(3),261,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
980 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JADSAY Journal of the American Dental Association. (American Dental Assoc., 211 E. Chicago Ave., Chicago, IL 60611) V.9- 1922- Volume(issue)/page/year: 26,1461,1939 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
22400 mg/kg/28D-I
TOXIC EFFECTS :
Brain and Coverings - changes in brain weight Kidney, Ureter, Bladder - changes in bladder weight
REFERENCE :
JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 6(3),261,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83141 No. of Facilities: 47 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 990 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83141 No. of Facilities: 304 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 3648 (estimated) No. of Female Employees: 3648 (estimated)

海关数据查看详细

中国海关编码:2914509090

概述:
2914509090 含其他含氧基的酮. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 丙酮报明包装
摘要/Summary:
HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:5

4.可旋转化学键数量:14

5.互变异构体数量:无

6.拓扑分子极性表面积91.9

7.重原子数量:21

8.表面电荷:0

9.复杂度:338

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:2

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  • 3674-07-5

    dodecyl 2-bromoacetate

  • 112-53-8

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