炔雌醇

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

炔雌醇 基本信息

中文名称:
炔雌醇 
中文别名:
炔雌醇;
3-羟基-19-去甲-17Α-甾-1,3,5(10)-三烯-20-炔-17-醇;
乙炔雌二醇;
炔雌酮;
17Α-乙炔-1,3,5-(10)-雌甾三烯-3,17Β-二醇;
3-羟基-19-去甲-17α-甾-1,3,5(10)-三烯-20-炔-17-醇;
19-去甲-1,3,5(10),17α-雌甾三烯-20-炔-3,17-二醇;
17α-乙炔基-1,3,5(10)-雌甾三烯-1,17β-二醇;
17α-乙炔基雌二醇;
17α-乙炔-1,3,5-(10)-雌甾三烯-1,17-二醇;
17α-Ethynyl-1,3,5(10)-estratriene-3,17β-diol 
英文名称:
Ethynyl estradiol
英文别名:
17α-ethynylestradiol;
Estoral;
Esteed;
LYNORAL;
eed;
Estinyl;
Estigyn;
Ethynyl estradiol;
17alpha-ethynylestradiol;
Anovlar;
Ertonyl;
diprol;
Ethynylestradiol;
Ethinyl Estradiol;
Etivex 
CAS No.:
57-63-6
分 子 式:

C20H24O2

分 子 量:
296.41
精确分子量:
296.17800
PSA:
40.46000
MDL:
MFCD00003690
EINECS:
200-342-2
BRN:
2419975
InChI:
InChI=1/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17+,18+,19-,20+/m1/s1
危险品标志:

风险术语:

R45;R22   

安全术语:

S53;S36/37/39;S45

分子结构式:
SDS:
查看

炔雌醇 制备方法及用途

制备方法

由雌酮(C18H22O2,[53-16-7])乙炔化而得:将甲苯异丁醇、氢氧化钾及异丁醇加热回流共沸脱水8h,加四氢呋喃,于25-40℃下通入乙炔至需要量度。再加雌酮四氢呋喃溶液,在5-10℃继续通乙炔12h。用30%硫酸于40℃以下调节微酸性,减压回收四氢呋喃。用水蒸气蒸馏除去残余溶液,冷却,过滤,用水洗至中性,在80℃干燥,得乙炔雌二醇粗品。经乙醇重结晶,活性炭脱色即为成品。收率85%。

合成制备方法

由雌酮(C18H22O2[53-16-7])乙炔化而得:将甲苯异丁醇、氢氧化钾及异丁醇加热回流共沸脱水8h,加四氢呋喃,于25-40℃下通入乙炔至需要量度。再加雌酮四氢呋喃溶液,在5-10℃继续通乙炔12h。用30%硫酸于40℃以下调节微酸性,减压回收四氢呋喃。用水蒸气蒸馏除去残余溶液,冷却,过滤,用水洗至中性,在80℃干燥,得乙炔雌二醇粗品。经乙醇重结晶,活性炭脱色即为成品。收率85%

用途简介

该品为雌激素类药。作用同乙烯雌酚,但效力强20倍。与孕激素类避孕合并使用,有抑制排卵的协同作用,可增强避孕功效,并可减少突破性出血等副作用。此外,也可用于月经紊乱,如闭经、月经过少、绝经期综合症和子宫发育不全等。供配制避孕药用。

用途

该品为雌激素类药。作用同乙烯雌酚,但效力强20倍。与孕激素类避孕合并使用,有抑制排卵的协同作用,可增强避孕功效,并可减少突破性出血等副作用。此外,也可用于月经紊乱,如闭经、月经过少、绝经期综合症和子宫发育不全等。供配制避孕药用。

炔雌醇 物化性质

外观与性状:
灰白色至淡黄色结晶粉末
密度:
1.21g/cm3
熔点:
182-183 °C(lit.)
沸点:
457.2ºC at 760mmHg
闪点:
211.2ºC
折射率:
-30 ° (C=0.4, Pyridine)
存储条件/存储方法:

  本品应密封于4℃干燥保存。

其它信息:

1.       性状:白色到奶白色结晶性粉。无气味。

2.       密度(g/mL,25/4℃):1.1460

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):145-146℃(半水合物)。182-184℃(无水物)

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:溶于乙醇、丙醇、乙醚、氯仿、二氧六环、植物油及氢氧化钠溶液,几乎不溶于水。

炔雌醇 安全信息

海关代码:
2937290090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R45;R22
安全说明:
S53-S36/37/39-S45
RTECS号:
RC8925000
安全标志:
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)。
S53:避免暴露——使用前先阅读专门的说明。
:
危险标志:
T:Toxic

炔雌醇 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RC8925000
CHEMICAL NAME :
19-Nor-17-alpha-pregna-1,3,5(10)-trien-20-yne-3,17-di ol
CAS REGISTRY NUMBER :
57-63-6
BEILSTEIN REFERENCE NO. :
2419975
LAST UPDATED :
199806
DATA ITEMS CITED :
106
MOLECULAR FORMULA :
C20-H24-O2
MOLECULAR WEIGHT :
296.44
WISWESSER LINE NOTATION :
L E5 B666TTT&J E1 FQ F1UU1 OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
21 mg/kg/21D-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - nausea or vomiting Nutritional and Gross Metabolic - body temperature increase
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
960 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 :
471 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Kidney, Ureter, Bladder - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Blood - hemorrhage
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
950 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 :
250 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Kidney, Ureter, Bladder - other changes
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>3 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Blood - hemorrhage
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 ug/kg/5D-I
TOXIC EFFECTS :
Endocrine - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
270 mg/kg/27D-I
TOXIC EFFECTS :
Liver - changes in liver weight Blood - normocytic anemia Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
108 mg/kg/90D-I
TOXIC EFFECTS :
Blood - normocytic anemia Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - changes in ovarian weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
475 mg/kg/95D-I
TOXIC EFFECTS :
Blood - hemorrhage Blood - normocytic anemia Blood - leukopenia
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
2738 ug/kg/10Y-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - angiosarcoma
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6 ug/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Endocrine - tumors Skin and Appendages - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5 mg/kg
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
621 mg/kg
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
245 mg/kg/35W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Reproductive - Tumorigenic effects - ovarian tumors Reproductive - Tumorigenic effects - uterine tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
800 mg/kg/34W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Kidney, Ureter, Bladder - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
102 mg/kg/5Y-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5 mg/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
500 ug/kg
SEX/DURATION :
female 5 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina Reproductive - Fertility - other measures of fertility
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
500 ug/kg
SEX/DURATION :
female 5 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - menstrual cycle changes or disorders Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
160 ug/kg
SEX/DURATION :
female 57 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
20 ug/kg
SEX/DURATION :
female 4 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
500 ug/kg
SEX/DURATION :
female 1-5 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
560 ug/kg
SEX/DURATION :
male 14 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
4500 ng/kg
SEX/DURATION :
female 1-9 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 :
Oral
DOSE :
250 ug/kg
SEX/DURATION :
female 1-4 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Fertility - other measures of fertility
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
860 ng/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
750 ug/kg
SEX/DURATION :
female 15-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - skin and skin appendages
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
55 ug/kg
SEX/DURATION :
female 11 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1 mg/kg
SEX/DURATION :
male 10 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1 mg/kg
SEX/DURATION :
female 1 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
5 ug/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Maternal Effects - uterus, cervix, vagina Reproductive - Fertility - other measures of fertility
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
4 ug/kg
SEX/DURATION :
male 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
28 ug/kg
SEX/DURATION :
female 3-9 day(s) after conception
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 :
Subcutaneous
DOSE :
600 ug/kg
SEX/DURATION :
female 17-20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Implant
DOSE :
10 mg/kg
SEX/DURATION :
female 24 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Maternal Effects - uterus, cervix, vagina Reproductive - Fertility - other measures of fertility
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
130 ug/kg
SEX/DURATION :
male 13 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - testes, epididymis, sperm duct
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
26 ug/kg
SEX/DURATION :
female 13 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - ovaries, fallopian tubes
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
300 ng/kg
SEX/DURATION :
female 3 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
40 ug/kg
SEX/DURATION :
female 3-4 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - abortion
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
120 ug/kg
SEX/DURATION :
female 1 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
200 ug/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
70 ug/kg
SEX/DURATION :
female 11-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - urogenital system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
70 ug/kg
SEX/DURATION :
female 11-17 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - delayed effects
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
280 mg/kg
SEX/DURATION :
female 28 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1200 ng/kg
SEX/DURATION :
female 3 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
400 ug/kg
SEX/DURATION :
female 11-12 day(s) after conception
TOXIC EFFECTS :
Reproductive - Tumorigenic effects - testicular tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravaginal
DOSE :
280 mg/kg
SEX/DURATION :
female 28 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
500 ug/kg
SEX/DURATION :
female 1-6 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
4 ug/kg
SEX/DURATION :
female 1 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 :
100 ug/kg
SEX/DURATION :
female 6-15 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 :
Subcutaneous
DOSE :
25 ug/kg
SEX/DURATION :
female 1 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
6 ug/kg
SEX/DURATION :
female 1-3 day(s) after conception
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 :
Unreported
DOSE :
19 ug/kg
SEX/DURATION :
female 1-19 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
125 ug/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
20 mg/kg
SEX/DURATION :
female 4 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - mating performance (e.g. # sperm positive females per # females mated; # copulations per # estrus cycles) Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
90 mg/kg
SEX/DURATION :
female 1-9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea) 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 :
Oral
DOSE :
70 ug/kg
SEX/DURATION :
female 7 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Implant
DOSE :
20 mg/kg
SEX/DURATION :
female 10 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - female fertility index (e.g. # females pregnant per # sperm positive females; # females pregnant per # females mated) 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 :
Implant
DOSE :
4 mg/kg
SEX/DURATION :
female 10 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Fertility - mating performance (e.g. # sperm positive females per # females mated; # copulations per # estrus cycles)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Implant
DOSE :
160 mg/kg
SEX/DURATION :
male 55 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - testes, epididymis, sperm duct
TYPE OF TEST :
Morphological transformation
TYPE OF TEST :
DNA adduct
TYPE OF TEST :
Unscheduled DNA synthesis
TYPE OF TEST :
Unscheduled DNA synthesis
TYPE OF TEST :
Micronucleus test
TYPE OF TEST :
Unscheduled DNA synthesis
TYPE OF TEST :
Sister chromatid exchange
TYPE OF TEST :
Cytogenetic analysis

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Mammal - domestic Cells - not otherwise specified
DOSE/DURATION :
74100 ug/L
REFERENCE :
AJOGAH American Journal of Obstetrics and Gynecology. (C.V. Mosby Co., 11830 Westline Industrial Dr., St. Louis, MO 63146) V.1- 1920- Volume(issue)/page/year: 120,390,1974 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 21,233,1979 IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 6,77,1974 TOXICOLOGY REVIEW ACEDAB Acta Endocrinologica, Supplementum (Copenhagen). (Periodica, Skolegade 12 E, DK-2500 Valby, Denmark) No.1- 1948- Volume(issue)/page/year: 185,169,1974 TOXICOLOGY REVIEW RSTEBF Research on Steroids. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1964- Volume(issue)/page/year: 6,455,1975 TOXICOLOGY REVIEW CMROCX Current Medical Research and Opinion. (Clayton-Wray Pub. Ltd., 1a High St., Alton, Hants., UK) V.1- 1972- Volume(issue)/page/year: 4,309,1976 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84691 No. of Facilities: 68 (estimated) No. of Industries: 1 No. of Occupations: 6 No. of Employees: 2770 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84691 No. of Facilities: 26 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 853 (estimated) No. of Female Employees: 692 (estimated)

炔雌醇 MSDS


模块 1. 化学品
  1.1 产品标识符
    : 17α-乙炔基雌二醇
    产品名称
  1.2 鉴别的其他方法
    17α-Ethynyl-1,3,5(10)-estratriene-3,17β-diol
    19-Nor-1,3,5(10),17α-pregnatrien-20-yne-3,17-diol
    Ethinylestradiol
  1.3 有关的确定了的物质或混合物的用途和建议不适合的用途
    仅用于研发。不作为药品、家庭或其它用途。

模块 2. 危险性概述
  2.1 GHS-分类
    急性毒性, 经口 (类别 4)
    致癌性 (类别 1B)
    慢性水生毒性 (类别 1)
  2.2 GHS 标记要素,包括预防性的陈述
    象形图
    警示词        危险    
    危险申明
    H302        吞咽有害。    
    H350        可能致癌。    
    H410        对水生生物毒性极大并具有长期持续影响.    
    警告申明
    预防
    P201        在使用前获取特别指示。    
    P202        在读懂所有安全防范措施之前切勿操作。    
    P264        操作后彻底清洁皮肤。    
    P270        使用本产品时不要进食、饮水或吸烟。    
    P273        避免释放到环境中。    
    P281        使用所需的个人防护设备。    
    响应
    P301 + P312        如果吞下去了:    
    如感觉不适,呼救解毒中心或看医生。如吞咽:如感觉不适,呼叫解毒中
    心或就医。
    P308 + P313        如接触到或有疑虑:求医/ 就诊。    
    P330        漱口。    
    P391        收集溢出物。    
    储存
    P405        存放处须加锁。    
    处置
    P501        将内容物/ 容器处理到得到批准的废物处理厂。    
    只限于专业使用者。
  2.3 其它危害物 - 无

模块 3. 成分/组成信息
  3.1 物 质
    : 17α-Ethynyl-1,3,5(10)-estratriene-3,17β-diol
    别名
    19-Nor-1,3,5(10),17α-pregnatrien-20-yne-3,17-diol
    Ethinylestradiol
    : C20H24O2
    分子式
    : 296.4 g/mol
    分子量
    组分        浓度或浓度范围    
    17α-Ethynylestradiol
    -
    化学文摘登记号(CAS        57-63-6    
    No.)        200-342-2    
    EC-编号

模块 4. 急救措施
  4.1 必要的急救措施描述
    一般的建议
    请教医生。 向到现场的医生出示此安全技术说明书。
    吸入
    如果吸入,请将患者移到新鲜空气处。 如呼吸停止,进行人工呼吸。 请教医生。
    皮肤接触
    用肥皂和大量的水冲洗。 请教医生。
    眼睛接触
    用水冲洗眼睛作为预防措施。
    食入
    切勿给失去知觉者通过口喂任何东西。 用水漱口。 请教医生。
  4.2 主要症状和影响,急性和迟发效应
  4.3 及时的医疗处理和所需的特殊处理的说明和指示
    无数据资料

模块 5. 消防措施
  5.1 灭火介质
    灭火方法及灭火剂
    用水雾,抗乙醇泡沫,干粉或二氧化碳灭火。
  5.2 源于此物质或混合物的特别的危害
    碳氧化物
  5.3 给消防员的建议
    如必要的话,戴自给式呼吸器去救火。
  5.4 进一步信息
    无数据资料

模块 6. 泄露应急处理
  6.1 作业人员防护措施、防护装备和应急处置程序
    使用个人防护用品。 避免粉尘生成。 避免吸入蒸气、烟雾或气体。 保证充分的通风。
    人员疏散到安全区域。 避免吸入粉尘。
  6.2 环境保护措施
    如能确保安全,可采取措施防止进一步的泄漏或溢出。 不要让产品进入下水道。
    一定要避免排放到周围环境中。
  6.3 泄漏化学品的收容、清除方法及所使用的处置材料
    收集和处置时不要产生粉尘。 扫掉和铲掉。 放入合适的封闭的容器中待处理。
  6.4 参考其他部分
    丢弃处理请参阅第13节。

模块 7. 操作处置与储存
  7.1 安全操作的注意事项
    避免接触皮肤和眼睛。 避免形成粉尘和气溶胶。避免曝露:使用前需要获得专门的指导。
    在有粉尘生成的地方,提供合适的排风设备。一般性的防火保护措施。
  7.2 安全储存的条件,包括任何不兼容性
    贮存在阴凉处。 使容器保持密闭,储存在干燥通风处。
    对光线敏感
  7.3 特定用途
    无数据资料

模块 8. 接触控制和个体防护
  8.1 容许浓度
    最高容许浓度
    没有已知的国家规定的暴露极限。
  8.2 暴露控制
    适当的技术控制
    根据良好的工业卫生和安全规范进行操作。 休息前和工作结束时洗手。
    个体防护设备
    眼/面保护
    带有防护边罩的安全眼镜符合 EN166要求请使用经官方标准如NIOSH (美国) 或 EN 166(欧盟)
    检测与批准的设备防护眼部。
    皮肤保护
    戴手套取 手套在使用前必须受检查。
    请使用合适的方法脱除手套(不要接触手套外部表面),避免任何皮肤部位接触此产品.
    使用后请将被污染过的手套根据相关法律法规和有效的实验室规章程序谨慎处理. 请清洗并吹干双手
    所选择的保护手套必须符合EU的89/686/EEC规定和从它衍生出来的EN 376标准。
    身体保护
    全套防化学试剂工作服, 防护设备的类型必须根据特定工作场所中的危险物的浓度和数量来选择。
    呼吸系统防护
    如危险性评测显示需要使用空气净化的防毒面具,请使用全面罩式多功能微粒防毒面具N100型(US
    )或P3型(EN
    143)防毒面具筒作为工程控制的候补。如果防毒面具是保护的唯一方式,则使用全面罩式送风防毒
    面具。 呼吸器使用经过测试并通过政府标准如NIOSH(US)或CEN(EU)的呼吸器和零件。

模块 9. 理化特性
  9.1 基本的理化特性的信息
    a) 外观与性状
    形状: 固体
    b) 气味
    无数据资料
    c) 气味阈值
    无数据资料
    d) pH值
    无数据资料
    e) 熔点/凝固点
    熔点/凝固点: 182 - 183 °C - lit.
    f) 沸点、初沸点和沸程
    无数据资料
    g) 闪点
    无数据资料
    h) 蒸发速率
    无数据资料
    i) 易燃性(固体,气体)
    无数据资料
    j) 高的/低的燃烧性或爆炸性限度 无数据资料
    k) 蒸气压
    无数据资料
    l) 蒸汽密度
    无数据资料
    m) 密度/相对密度
    无数据资料
    n) 水溶性
    无数据资料
    o) n-辛醇/水分配系数
    无数据资料
    p) 自燃温度
    无数据资料
    q) 分解温度
    无数据资料
    r) 粘度
    无数据资料

模块 10. 稳定性和反应活性
  10.1 反应性
    无数据资料
  10.2 稳定性
    无数据资料
  10.3 危险反应
    无数据资料
  10.4 应避免的条件
    无数据资料
  10.5 不相容的物质
    强氧化剂
  10.6 危险的分解产物
    其它分解产物 - 无数据资料

模块 11. 毒理学资料
  11.1 毒理学影响的信息
    急性毒性
    半数致死剂量 (LD50) 经口 - 大鼠 - 960 mg/kg
    皮肤刺激或腐蚀
    无数据资料
    眼睛刺激或腐蚀
    无数据资料
    呼吸道或皮肤过敏
    无数据资料
    生殖细胞突变性
    无数据资料
    致癌性
    足够证据表明雌酮在实验动物上的致癌力。在人体上还没有足够数据的时候,从实际用途出发,将雌酮看成是
    对人类有致癌力是合情合理的。人体研究强烈表明注射雌激素从因果上看与升高的子宫内膜癌有关。尚未有证
    据表明雌酮在这方面与其他雌激素有不同之处。
    可能的人类致癌物
    IARC:
    此产品中没有大于或等于 0。1%含量的组分被 IARC鉴别为可能的或肯定的人类致癌物。
    生殖毒性
    实验室试验表明有畸胎生成效应
    从实验动物的结果看,过度接触能导致生殖紊乱
    特异性靶器官系统毒性(一次接触)
    无数据资料
    特异性靶器官系统毒性(反复接触)
    无数据资料
    吸入危险
    无数据资料
    潜在的健康影响
    吸入        吸入可能有害。 可能引起呼吸道刺激。    
    摄入        误吞对人体有害。    
    皮肤        通过皮肤吸收可能有害。 可能引起皮肤刺激。    
    眼睛        可能引起眼睛刺激。    
    附加说明
    化学物质毒性作用登记: RC8925000

模块 12. 生态学资料
  12.1 生态毒性
  12.2 持久性和降解性
    无数据资料
  12.3 潜在的生物累积性
    无数据资料
  12.4 土壤中的迁移性
    无数据资料
  12.5 PBT 和 vPvB的结果评价
    无数据资料
  12.6 其它不良影响
    对水生生物毒性极大并具有长期持续影响.
    无数据资料

模块 13. 废弃处置
  13.1 废物处理方法
    产品
    将剩余的和不可回收的溶液交给有许可证的公司处理。
    联系专业的拥有废弃物处理执照的机构来处理此物质。
    与易燃溶剂相溶或者相混合,在备有燃烧后处理和洗刷作用的化学焚化炉中燃烧
    受污染的容器和包装
    按未用产品处置。

模块 14. 运输信息
  14.1 联合国危险货物编号
    欧洲陆运危规: 3077        国际海运危规: 3077        国际空运危规: 3077    
  14.2 联合国运输名称
    欧洲陆运危规: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (17α-Ethynylestradiol)
    国际海运危规: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (17α-Ethynylestradiol)
    国际空运危规: Environmentally hazardous substance, solid, n.o.s. (17α-Ethynylestradiol)
  14.3 运输危险类别
    欧洲陆运危规: 9        国际海运危规: 9        国际空运危规: 9    
  14.4 包裹组
    欧洲陆运危规: III        国际海运危规: III        国际空运危规: III    
  14.5 环境危险
    欧洲陆运危规: 是        国际海运危规        国际空运危规: 是    
    海洋污染物(是/否): 是
  14.6 对使用者的特别提醒
    进一步信息
    危险品独立包装,液体5升以上或固体5公斤以上,每个独立包装外和独立内包装合并后的外包装上都必须有EHS
    标识 (根据欧洲 ADR 法规 2.2.9.1.10, IMDG 法规 2.10.3),


模块 15 - 法规信息
N/A


模块16 - 其他信息
N/A

炔雌醇 分子结构与计算化学数据

分子结构数据

五、分子性质数据:

1、   摩尔折射率:86.26

2、   摩尔体积(m3/mol):244.4

3、   等张比容(90.2K):672.4

4、   表面张力(dyne/cm):57.2

5、   极化率10-24cm3):34.19

计算化学数据

1、   计疏水参数计算参考值(XlogP):3.7

2、   氢键供体数量:2

3、   氢键受体数量:2

4、   可旋转化学键数量:7

5、   互变异构体数量:9

6、   拓扑分子极性表面积(TPSA):40.5

7、   重原子数量:22

8、   表面电荷:0

9、   复杂度:505

10、同位素原子数量:0

11、确定原子立构中心数量:5

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:1

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湖北常鑫盛化工有限公司

产品介绍:
产品名称:炔雌醇 Cas号:57-63-6 纯度:98% 包装信息:桶装kg,小包装kg 价格:5.0元 - 10.0元
联系方式:
联系人:黄 电话:18971203904 手机:18971203904

天津凯德奥医药科技有限公司

产品介绍:
产品名称:炔雌醇/乙炔雌二醇 Cas号:57-63-6 纯度:99% 包装信息:1kg 价格:洽谈
联系方式:
联系人:张珍 电话:17502206926 手机:15510908448

湖北魏氏化学试剂股份有限公司

产品介绍:
产品名称:炔雌醇-乙炔雌二醇 Cas号:57-63-6 纯度:≥99% 包装信息:25/纸板桶kg 价格:洽谈
联系方式:
联系人:刘涛 电话:027-59101766 手机:13125137661

上海吉至生化科技有限公司

产品介绍:
产品名称:17α-乙炔基雌二醇 Cas号:57-63-6 纯度:98% 包装信息:1gea,25gea,5gea 价格:96.0元 - 1,136.0元
联系方式:
联系人:江珊 电话:021-57520831 手机:15316869680

上海源叶生物科技有限公司

产品介绍:
产品名称:17α-乙炔基雌二醇 Cas号:57-63-6 纯度:HPLC≥98% 包装信息:100mg 价格:90.0元
联系方式:
联系人:Yuki 电话:021-61845781 手机:13585604150

北京百灵威科技有限公司

产品介绍:
产品名称:17α-炔雌醇 425563 Cas号:57-63-6 纯度:98%,一种生物活性雌激素 包装信息:1g,5g 价格:洽谈
联系方式:
联系人:翟先生 电话:18210857532 手机:18210857532

湖北丹澳药业有限公司

产品介绍:
产品名称:炔雌醇 Cas号:57-63-6 纯度:99 包装信息:25/桶kg 价格:洽谈
联系方式:
联系人:崔潆文 电话:0719-5252573 手机:18986895161

武汉鑫伟烨化工有限公司

产品介绍:
产品名称:乙炔雌二醇 Cas号:57-63-6 纯度:98% 包装信息:25kg,25kg,25kg 价格:1.0元 - 1.0元
联系方式:
联系人:郭经理 电话:027-85953558 手机:13377862267