制备方法

由愈创木酚钠与3-氯丙二醇缩合而得。将氢氧化钠溶液和愈创木酚在40℃配制成酚钠,加入3-氯-1,2-丙二醇,自然升温至95℃,于92-98℃反应3h,静置,分去盐水层,加盐酸酸化至pH为3-5,冷却结晶,甩滤。滤饼用乙醇重结晶,得愈创甘油醚。收率约60%。

合成制备方法

由愈创木酚钠与3-氯丙二醇缩合而得。将氢氧化钠溶液和愈创木酚在40℃配制成酚钠，加入3-氯-1，2-丙二醇，自然升温至95℃，于92-98℃反应3h，静置，分去盐水层，加盐酸酸化至pH为3-5，冷却结晶，甩滤。滤饼用乙醇重结晶，得愈创甘油醚。收率约60%。

用途简介

祛痰镇咳药。祛痰镇咳，适用于多痰咳慢性支气管炎、支气管扩张等病症。

用途

该品为祛痰镇咳药。

海关代码：

2909499000

WGK_Germany：

1
德国有关水污染物质的分类清单

危险类别码：

R22;R36/37/38

安全说明：

S26-S36

RTECS号：

TY8400000

安全标志：

S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。

危险标志：

Xn:Harmful

CHEMICAL IDENTIFICATION

RTECS NUMBER :

TY8400000

CHEMICAL NAME :

1,2-Propanediol, 3-(o-methoxyphenoxy)-

CAS REGISTRY NUMBER :

93-14-1

BEILSTEIN REFERENCE NO. :

2049375

LAST UPDATED :

199701

DATA ITEMS CITED :

15

MOLECULAR FORMULA :

C10-H14-O4

MOLECULAR WEIGHT :

198.24

WISWESSER LINE NOTATION :

Q1YQ1OR BO1

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 :

1510 mg/kg

TOXIC EFFECTS :

Behavioral - altered sleep time (including change in righting reflex) Lungs, Thorax, or Respiration - chronic pulmonary edema Lungs, Thorax, or Respiration - respiratory depression

REFERENCE :

PLRCAT Pharmacological Research Communications. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1969- Volume(issue)/page/year: 1,413,1969

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

1 gm/kg

TOXIC EFFECTS :

Behavioral - altered sleep time (including change in righting reflex)

REFERENCE :

AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 191,147,1971

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

2550 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,210,1982

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

360 mg/kg

TOXIC EFFECTS :

Behavioral - ataxia Lungs, Thorax, or Respiration - dyspnea Kidney, Ureter, Bladder - hematuria

REFERENCE :

PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 85,323,1954

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intramuscular

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

4 gm/kg

TOXIC EFFECTS :

Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes

REFERENCE :

OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 8,429,1974

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

690 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: -,398,1972

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

495 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: -,398,1972

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

800 mg/kg

TOXIC EFFECTS :

Autonomic Nervous System - smooth muscle relaxant (mechanism undefined, spasmolytic)

REFERENCE :

ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 15,1355,1965

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

400 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 8,429,1974

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intramuscular

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

2210 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 8,429,1974

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intravenous

SPECIES OBSERVED :

Mammal - dog

DOSE/DURATION :

335 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 54,688,1958

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rabbit

DOSE/DURATION :

2553 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

ATHPAB Applied Therapeutics. (Seccombe House Unlimited, Toronto, Canada) V.2(9)-12, 1960-70. Volume(issue)/page/year: 9,55,1967 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80423 No. of Facilities: 4214 (estimated) No. of Industries: 5 No. of Occupations: 24 No. of Employees: 21971 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80423 No. of Facilities: 512 (estimated) No. of Industries: 5 No. of Occupations: 13 No. of Employees: 25427 (estimated) No. of Female Employees: 21545 (estimated)

中国海关编码：2909499000

概述：

2909499000 其他醚醇及其卤化、磺化、硝化或亚硝化衍生物. 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

摘要/Summary：

2909499000. ether-alcohols and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:5.5%. General tariff:30.0%

分子结构数据

1、  摩尔折射率：51.90

2、  摩尔体积（cm³/mol）：165.8

3、  等张比容（90.2K）：431.0

4、  表面张力（dyne/cm）：45.6

5、  极化率（10-24cm3）：20.57

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:2

3.氢键受体数量:4

4.可旋转化学键数量:5

5.互变异构体数量:无

6.拓扑分子极性表面积58.9

7.重原子数量:14

8.表面电荷:0

9.复杂度:151

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: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

• 
  愈创木酚甘油醚质谱(MS)
• 
  愈创木酚甘油醚核磁图(¹³CNMR)
• 
  愈创木酚甘油醚核磁图(¹HNMR)
• 
  愈创木酚甘油醚红外图谱(IR1)
• 
  愈创木酚甘油醚红外图谱(IR2)