雌甾酮

  • 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

雌甾酮 基本信息

中文名称:
雌甾酮 
中文别名:
雌酚酮;
雌(甾)酮;
3-羟基雌甾-1,3,5(10)-三烯-17-酮;
雌(三烯酚)酮;
雌激素酮;
α-卵泡激素;
雌酮;
雌甾酮 
英文名称:
Estrone
英文别名:
estrone;
E 1;
Femidyn;
Folisan;
Folipex;
1,3,5(10)-Estratrien-3-ol-17-one;
3-Hydroxy-1,3,5(10)-estratrien-17-one;
Estrin;
Kolpon;
Estrone;
Estrona;
Estron;
ESTROL 
CAS No.:
53-16-7
分 子 式:
C18H22O2
分 子 量:
270.37
精确分子量:
270.16200
PSA:
37.30000
MDL:
MFCD00003620
EINECS:
200-164-5
BRN:
1915077
InChI:
InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14?,15-,16?,18+/m1/s1
危险品标志:
ToxicT
风险术语:
R45;R60;R61;
安全术语:
S53;S45;
分子结构式:
SDS:
查看

雌甾酮 制备方法及用途

制备方法

1.在17β-羟甾类脱氢酶的作用下由17β-雌二醇制成。 2.

合成制备方法

1.在17β-羟甾类脱氢酶的作用下由17β-雌二醇制成。

2.

用途简介

雌酚酮原料药功能是合成医药炔雌醇的原料药。

用途

1.主要用于治疗子宫发育不全、月经失调、更年期障碍等,因来源困难,已少用。

雌甾酮 物化性质

外观与性状:
白色结晶粉末
密度:
1.164 g/cm3
熔点:
258-260 °C(lit.)
沸点:
445.2ºC at 760 mmHg
闪点:
189.7ºC
水溶解性:
0.03 g/L
折射率:
165 ° (C=1, Dioxane)
存储条件/存储方法:

避光密闭保存

稳定性相关:

雌酮是卵巢成熟卵泡 ( 主要是泡膜细胞)和黄体分泌的一种雌激素,其作用与雌二醇相同,能促进和调节女性副性器官发育,促使女性副性征出现。

其它信息:

1.       性状:白色至乳白色结晶性粉末

2.       密度(g/mL,25/4℃): 未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):280

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):+158°~+165°

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: 几乎不溶于水。溶于乙醇、氯仿、沸乙醇、丙酮、二噁烷、植物油。微溶于无水乙醇、乙醚、碱液。

雌甾酮 安全信息

包装等级:
I; II; III
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;R60;R61
安全说明:
S53-S45
RTECS号:
KG8575000
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

雌甾酮 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KG8575000
CHEMICAL NAME :
Estrone
CAS REGISTRY NUMBER :
53-16-7
BEILSTEIN REFERENCE NO. :
1915077
LAST UPDATED :
199707
DATA ITEMS CITED :
66
MOLECULAR FORMULA :
C18-H22-O2
MOLECULAR WEIGHT :
270.40
WISWESSER LINE NOTATION :
L E5 B666 FVTTT&J E1 OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
16 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 :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
108 mg/kg/90W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Blood - lymphoma, including Hodgkin's disease Skin and Appendages - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1200 ug/kg/W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
48 mg/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Blood - leukemia Blood - lymphoma, including Hodgkin's disease
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
40 mg/kg/18W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Reproductive - Tumorigenic effects - uterine tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
640 ug/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Reproductive - Tumorigenic effects - uterine tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
320 mg/kg/59W-C
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
2 mg/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Reproductive - Tumorigenic effects - uterine tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1800 ug/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
80 mg/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
640 mg/kg/38W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
48 mg/kg/24W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumor types after systemic administration not seen spontaneously
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Implant
DOSE :
1586 ug/kg
SEX/DURATION :
male 60 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count) Reproductive - Paternal Effects - impotence
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
100 ug/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 :
560 ug/kg
SEX/DURATION :
male 14 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 :
Oral
DOSE :
2240 ug/kg
SEX/DURATION :
male 14 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - testes, epididymis, sperm duct
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
4945 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 :
Administration onto the skin
DOSE :
12 mg/kg
SEX/DURATION :
male 30 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 :
Intraperitoneal
DOSE :
1250 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 :
Subcutaneous
DOSE :
1500 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 :
500 ug/kg
SEX/DURATION :
male 60 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 :
10 ug/kg
SEX/DURATION :
female 3 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 :
50 ug/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - behavioral
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
10 ug/kg
SEX/DURATION :
female 2 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
25 ug/kg
SEX/DURATION :
female 2 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 :
50 ug/kg
SEX/DURATION :
female 2 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 :
Intravenous
DOSE :
3 ug/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 :
Parenteral
DOSE :
25 ug/kg
SEX/DURATION :
female 2 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 :
Unreported
DOSE :
500 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 :
Intrauterine
DOSE :
120 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 :
40 ug/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 :
28 mg/kg
SEX/DURATION :
female 12-16 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Fertility - abortion
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
8 ug/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 :
2520 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 :
Unreported
DOSE :
40 mg/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 :
Intravaginal
DOSE :
48 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 :
6250 ug/kg
SEX/DURATION :
female 5 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 :
300 ug/kg
SEX/DURATION :
female 1-3 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 :
630 ug/kg
SEX/DURATION :
female 6-8 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 - extra-embryonic structures (e.g., placenta, umbilical cord)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
225 ug/kg
SEX/DURATION :
female 3-4 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 :
200 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 :
Subcutaneous
DOSE :
5500 ug/kg
SEX/DURATION :
female 15-25 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 :
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 :
Intramuscular
DOSE :
5 ug/kg
SEX/DURATION :
female 1-3 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
13 iu/kg
SEX/DURATION :
female 9 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - extra-embryonic structures (e.g., placenta, umbilical cord) Reproductive - Effects on Embryo or Fetus - other effects to embryo
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Unreported
DOSE :
3 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 :
Oral
DOSE :
24 mg/kg
SEX/DURATION :
female 1-3 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 :
Parenteral
DOSE :
2 mg/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 :
Implant
DOSE :
160 mg/kg
SEX/DURATION :
male 58 week(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - testes, epididymis, sperm duct
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
12500 ng/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina
TYPE OF TEST :
DNA adduct
TYPE OF TEST :
Cytogenetic analysis

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
10 umol/L
REFERENCE :
EXPEAM Experientia. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1945- Volume(issue)/page/year: 44,62,1988 *** 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: 6,123,1974 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: 21,343,1979 TOXICOLOGY REVIEW ADVPA3 Advances in Pharmacology. (New York, NY) V.1-6, 1962-68. For publisher information, see AVPCAQ. Volume(issue)/page/year: 4,263,1966 TOXICOLOGY REVIEW JTEHD6 Journal of Toxicology and Environmental Health. (Hemisphere Pub., 1025 Vermont Ave., NW, Washington, DC 20005) V.1- 1975/76- Volume(issue)/page/year: 3,243,1977 TOXICOLOGY REVIEW CANCAR Cancer (Philadelphia). (Lippincott/Harper, Journal Fulfillment Dept., 2350 Virginia Ave., Hagerstown, MD 21740) V.1- 1948- Volume(issue)/page/year: 40,1825,1977 TOXICOLOGY REVIEW ACRSAJ Advances in Cancer Research. (Academic Press, Inc., 465 S. Lincoln Dr., Troy, MO 63379) V.1- 1953- Volume(issue)/page/year: 1,173,1953 TOXICOLOGY REVIEW PEXTAR Progress in Experimental Tumor Research. (S. Karger AG, Postfach CH-4009 Basel, Switzerland) V.1- 1960- Volume(issue)/page/year: 5,157,1964 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80410 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 - 80410 No. of Facilities: 70 (estimated) No. of Industries: 2 No. of Occupations: 4 No. of Employees: 4444 (estimated) No. of Female Employees: 3848 (estimated)

雌甾酮 MSDS

    雌酮

模块 1. 化学品
    产品名称:      Estrone    

模块 2. 危险性概述
  GHS分类
     物理性危害        未分类    
     健康危害
    致癌性      1A类    
    生殖毒性      1B类    
     环境危害        未分类    
  GHS标签元素
     图标或危害标志
     信号词        危险    
     危险描述        可能致癌    
    可能损害生育能力或胎儿
     防范说明
  [预防]        使用前获取特定手册。    
    处理前必须阅读并理解所有安全措施。
    使用个人所需的防护用具。
  [急救措施]      如接触到或相关接触:求医/就诊。    
  [储存]        存放处须加锁。    
  [废弃处置]      根据当地政府规定把物品/容器交与工业废弃处理机构。    

模块 3. 成分/组成信息
  单一物质/混和物        单一物质    
  化学名(中文名):        雌酮    
    百分比:      >98.0%(GC)    
  CAS编码:      53-16-7    
    分子式:      C18H22O2    
    雌酮

模块 4. 急救措施
    吸入:      将受害者移到新鲜空气处,保持呼吸通畅,休息。求医/就诊。    
    皮肤接触:      立即去除/脱掉所有被污染的衣物。用大量肥皂和水轻轻洗。    
  求医/就诊。
    眼睛接触:        用水小心清洗几分钟。如果方便,易操作,摘除隐形眼镜。    
  求医/就诊。
    食入:      求医/就诊。漱口。    
    紧急救助者的防护:        救援者需要穿戴个人防护用品,比如橡胶手套和气密性护目镜。    

模块 5. 消防措施
    合适的灭火剂:        干粉,泡沫,雾状水,二氧化碳    
    特定方法:        从上风处灭火,根据周围环境选择合适的灭火方法。    
    非相关人员应该撤离至安全地方。
    周围一旦着火:如果安全,移去可移动容器。
    消防员的特殊防护用具:        灭火时,一定要穿戴个人防护用品。    

模块 6. 泄漏应急处理
    个人防护措施,防护用具,      使用特殊的个人防护用品(针对有毒颗粒的P3过滤式空气呼吸器)。远离溢出物/泄露    
    紧急措施:        处并处在上风处。    
    泄露区应该用安全带等圈起来,控制非相关人员进入。
    环保措施:        防止进入下水道。    
    控制和清洗的方法和材料:        清扫收集粉尘,封入密闭容器。注意切勿分散。附着物或收集物应该立即根据合适的    
    法律法规处置。

模块 7. 操作处置与储存
    处理
    技术措施:        在通风良好处进行处理。穿戴合适的防护用具。防止粉尘扩散。处理后彻底清洗双手    
    和脸。
    注意事项:        如果可能,使用封闭系统。如果粉尘或浮质产生,使用局部排气。    
    操作处置注意事项:        避免所有部位的接触!    
    贮存
    储存条件:        保持容器密闭。存放于凉爽、阴暗处。    
    存放处须加锁。
    远离不相容的材料比如氧化剂存放。
    包装材料:        依据法律。    

模块 8. 接触控制和个体防护
    工程控制:        尽可能安装封闭体系或局部排风系统。同时安装淋浴器和洗眼器。    
    个人防护用品
     呼吸系统防护:      防尘面具,自携式呼吸器(SCBA),供气呼吸器等。使用通过政府标准的呼吸器。依    
    据当地和政府法规。
     手部防护:        防渗手套。    
     眼睛防护:        护目镜。如果情况需要,佩戴面具。    
     皮肤和身体防护:        防渗防护服。如果情况需要,穿戴防护靴。    

模块 9. 理化特性
    固体
  外形(20°C):
    外观:      晶体-粉末    
    颜色:      白色-微浅黄色    
    气味:        无味    
    雌酮

模块 9. 理化特性
  pH:        无数据资料    
    熔点:        无资料    
  沸点/沸程        无资料    
    闪点:        无资料    
    爆炸特性
     爆炸下限:        无资料    
     爆炸上限:        无资料    
    密度:        无资料    
    溶解度:
  [水]      不溶于(0.003g/100mL, 25°C)    
  [其他溶剂]
    溶于:      吡啶, 二氧六环    
    微溶于:      醚, 苯, 丙酮    
    极微溶于:      酒精, 氯仿    
  log水分配系数 =      3.38    

模块 10. 稳定性和反应性
    化学稳定性:        一般情况下稳定。    
    危险反应的可能性:        未报道特殊反应性。    
    须避免接触的物质        氧化剂    
  危险的分解产物:      一氧化碳, 二氧化碳    

模块 11. 毒理学信息
    急性毒性:        无资料    
    对皮肤腐蚀或刺激:        无资料    
    对眼睛严重损害或刺激:        无资料    
    生殖细胞变异原性:      dna-rat-orl 870 nmol/kg    
  cyt-rat-ipr 10 mg/kg
    致癌性:      imp-rat TDLo:16 mg/kg    
  IARC =      1 (对人类致癌)。    
  NTP =      b(合理预期致癌物)    
    生殖毒性:        无资料    
  RTECS 号码:      KG8575000    

模块 12. 生态学信息
    生态毒性:
    鱼类:        无资料    
    甲壳类:        无资料    
    藻类:        无资料    
  残留性 / 降解性:        无资料    
  潜在生物累积 (BCF):        无资料    
    土壤中移动性
   log水分配系数:      3.38    
   土壤吸收系数 (Koc):        无资料    
  3.8 x 10-5
     亨利定律
  constant(PaM3/mol):

模块 13. 废弃处置
    如果可能,回收处理。请咨询当地管理部门。建议在可燃溶剂中溶解混合,在装有后燃和洗涤装置的化学焚烧炉中
    焚烧。废弃处置时请遵守国家、地区和当地的所有法规。
    雌酮

模块 14. 运输信息
    联合国分类:        与联合国分类标准不一致    
  UN编号:        未列明    

模块 15. 法规信息
  《危险化学品安全管理条例》(2002年1月26日国务院发布,2011年2月16日修订): 针对危险化学品的安全使用、
    生产、储存、运输、装卸等方面均作了相应的规定。


模块16 - 其他信息
N/A

雌甾酮 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:78.04

2、   摩尔体积(cm3/mol):232.1

3、   等张比容(90.2K):604.7

4、   表面张力(dyne/cm):46.0

5、   极化率(10-24cm3):30.94

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:1

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:18

6.拓扑分子极性表面积37.3

7.重原子数量:20

8.表面电荷:0

9.复杂度:418

10.同位素原子数量:0

11.确定原子立构中心数量:4

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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