cas号： 72-33-3 ，名称：美雌醇的性质/作用/用途-化学加百科

美雌醇

美雌醇基本信息
CAS号	72-33-3	分子式	C21H26O2
分子量	310.43000	精确质量	310.19300
PSA	29.46000	LogP	3.91560

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等价的CAS号：

72-33-3,4502-08-3,14088-34-7,17550-19-5,19640-70-1,25918-90-5,70878-26-1,70897-67-5,112530-48-0

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基本信息制备方法与用途物化性质安全信息合成路线化学图谱毒性 MSDS 结构与计算数据上下游

基本信息展开↓

CAS号：: 72-33-3
3D弹球模型：: 立即前往扯扯看
分子式：: C21H26O2
分子量：: 310.43000
中文名称：: 美雌醇
英文名称：: mestranol
中文别名：: 美雌醇;
(17α)-3-Methoxy-19-norpregna-1,3,5(10)-trien-20-yn-17-ol;
3-甲氧基-17α-乙炔雌二醇;
炔雌醇甲醚
英文别名：: mestranol;
EE3ME;
RS 1044;
Norquen;
d-MVE;
Mestranol;
SC 4725;
17a-Ethynyl-1,3,5(10)-estratriene-3,17b-diol 3-methyl ether;
Ovastol;
Devocin
精确分子量/精确质量：: 310.19300
极性分子表面积/PSA：: 29.46000
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：: MFCD00003689
EINECS：: 200-777-8
BRN：: 2625905
InChI：: InChI=1/C29H52/c1-7-22(20(2)3)12-11-21(4)25-15-16-26-24-14-13-23-10-8-9-18-28(23,5)27(24)17-19-29(25,26)6/h20-27H,7-19H2,1-6H3/t21-,22-,23+,24+,25-,26+,27+,28+,29-/m1/s1

生产制备方法及用途展开↓

制备方法

主要用于卵巢功能不全、闭经、功能性子宫出血、更年期综合征等。

用途简介

用途

主要用于卵巢功能不全、闭经、功能性子宫出血、更年期综合征等。

物化性质展开↓

外观与性状：: 结晶固体
密度：: 0.905g/cm3
熔点：: 153-155 °C(lit.)
沸点：: 464.1ºC at 760 mmHg
闪点：: 224.1ºC
折射率：: 1.49
存储条件/存储方法：: 本品应密封阴凉干燥避光保存。
其它信息：: 1.       性状：不确定
2.       密度（g/mL,25/4℃）：不确定
3.       相对蒸汽密度（g/mL,空气=1）：不确定
4.       熔点（ºC）：153-155 (lit.)
5.       沸点（ºC,常压）：不确定
6.       沸点（ºC, 5.2 kPa）：不确定
7.       折射率：不确定
8.       闪点（ºC）：不确定
9.       比旋光度（º）：不确定
10.    自燃点或引燃温度（ºC）：不确定
11.    蒸气压（kPa,25 ºC）：不确定
12.    饱和蒸气压（kPa,60 ºC）：不确定
13.    燃烧热（KJ/mol）：不确定
14.    临界温度（ºC）：不确定
15.    临界压力（KPa）：不确定
16.    油水（辛醇/水）分配系数的对数值：不确定
17.    爆炸上限（%,V/V）：不确定
18.    爆炸下限（%,V/V）：不确定
19.    溶解性：不确定

安全信息展开↓

WGK_Germany：: 3
德国有关水污染物质的分类清单
危险类别码：: R36/37/38;R40;R48
安全说明：: S22-S26-S36/37/39-S45-S36/37
RTECS号：: RC8960000
安全标志：: :
危险标志：: Xn: Harmful;

合成路线查看所有的合成路线

1624-62-0

3-甲氧基雌酮
+
1066-54-2

三甲基乙炔基硅
→

~92%
72-33-3

美雌醇

57-63-6

炔雌醇
+
74-88-4

甲基碘
→

~82%
72-33-3

美雌醇

1624-62-0

3-甲氧基雌酮
+
74-86-2

乙炔
→
72-33-3

美雌醇

化学图谱

炔雌醇甲醚红外图谱(IR1)
炔雌醇甲醚红外图谱(IR2)
炔雌醇甲醚质谱(MS)
炔雌醇甲醚核磁图(¹³CNMR)

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RC8960000

CHEMICAL NAME :: 17-alpha-19-Norpregna-1,3,5(10)-trien-20-yn-17-ol, 3-methoxy-

CAS REGISTRY NUMBER :: 72-33-3

BEILSTEIN REFERENCE NO. :: 2625905

LAST UPDATED :: 199612

DATA ITEMS CITED :: 54

MOLECULAR FORMULA :: C21-H26-O2

MOLECULAR WEIGHT :: 310.47

WISWESSER LINE NOTATION :: L E5 B666TTT&J E1 FQ F1UU1 OO1

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 :: >3 gm/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Gastrointestinal - changes in structure or function of salivary glands Skin and Appendages - hair

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >5 gm/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Gastrointestinal - changes in structure or function of salivary glands Skin and Appendages - hair

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >10 gm/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - ptosis Behavioral - somnolence (general depressed activity) Skin and Appendages - hair

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >3200 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - lacrimation Behavioral - somnolence (general depressed activity) Skin and Appendages - hair

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2500 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - lacrimation Sense Organs and Special Senses (Eye) - ptosis Skin and Appendages - hair

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 300 mg/kg/30D-C

TOXIC EFFECTS :: Endocrine - changes in thymus 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 - mouse

DOSE/DURATION :: 5490 mg/kg/17W-C

TOXIC EFFECTS :: Behavioral - alteration of operant conditioning

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 2400 ug/kg/17W-C

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Liver - other changes

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 61 mg/kg/84W-C

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Reproductive - Tumorigenic effects - ovarian tumors Reproductive - Tumorigenic effects - uterine tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 19 mg/kg/30W-C

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 20 mg/kg/28W-C

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 20 ug/kg

SEX/DURATION :: female 20 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 :: 25600 ng/kg

SEX/DURATION :: female 16 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 :: 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 :: Oral

DOSE :: 2500 ug/kg

SEX/DURATION :: female 10 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 :: 150 ug/kg

SEX/DURATION :: female 2-4 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 :: 430 ug/kg

SEX/DURATION :: female 1-22 day(s) after conception lactating female 21 day(s) post-birth

TOXIC EFFECTS :: Reproductive - Specific Developmental Abnormalities - urogenital system Reproductive - Effects on Newborn - delayed effects

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 700 ug/kg

SEX/DURATION :: female 7 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 :: 690 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 :: 336 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 :: 1 mg/kg

SEX/DURATION :: female 2-3 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 :: Subcutaneous

DOSE :: 1050 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 :: 60 ug/kg

SEX/DURATION :: female 2-4 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 :: 500 ng/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 :: 400 ng/kg

SEX/DURATION :: male 1 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 :: 35 ug/kg

SEX/DURATION :: female 35 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 :: Unreported

DOSE :: 150 ug/kg

SEX/DURATION :: female 30 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 :: 3 mg/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 :: 250 ug/kg

SEX/DURATION :: female 4-8 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 132 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 :: 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 :: Oral

DOSE :: 5 mg/kg

SEX/DURATION :: female 6 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - other measures of fertility Reproductive - Effects on Newborn - live birth index (measured after birth)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 50 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 :: 500 ug/kg

SEX/DURATION :: female 1 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 :: Subcutaneous

DOSE :: 30 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 :: Subcutaneous

DOSE :: 15 ug/kg

SEX/DURATION :: female 1-3 day(s) after conception

TOXIC EFFECTS :: Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

DOSE :: 25 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 :: Unreported

DOSE :: 95 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 :: Unscheduled DNA synthesis

TYPE OF TEST :: Micronucleus test

TYPE OF TEST :: Mutation test systems - not otherwise specified

TYPE OF TEST :: Cytogenetic analysis

MUTATION DATA

TEST SYSTEM :: Rodent - mouse

DOSE/DURATION :: 100 ug/kg

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 322,173,1994 *** 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: 21,257,1979 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: 6,87,1974 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 CRTXB2 CRC Critical Reviews in Toxicology. (CRC Press, Inc., 2000 Corporate Blvd., NW, Boca Raton, FL 33431) V.1- 1971- Volume(issue)/page/year: 1(1),93,1971 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: 3,197,1977 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

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      第2级
    　环境危害        未分类
  GHS标签元素
    　图标或危害标志
    　信号词        警告
    　危险描述        怀疑会致癌
    　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)：        炔雌醇甲醚
    百分比：      >98.0%(HPLC)(T)
  CAS编码：      72-33-3
    俗名：      17α-Ethynylestradiol 3-Methyl Ether
    分子式：      C21H26O2
    炔雌醇甲醚

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：        白色类白色
    气味：        无资料
    炔雌醇甲醚

模块 9. 理化特性
  pH:        无数据资料
    熔点：      151°C
  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
  [其他溶剂]
    溶于：      醚, 氯仿, 乙醇, 二氧六环

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：      ipr-rat LD50:>3 g/kg
  orl-rat LD50:>10 g/kg
    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：      cyt-hmn-lym 10 mg/L
  dns-rat-scu 5 ug/kg
  oms-mus-scu 120 ug/kg
  sce-hmn-lym 1 mg/L
    致癌性：
  IARC =        无资料
  NTP =      b（合理预期致癌物）
    生殖毒性：        无资料
  RTECS 号码:      RC8960000

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：        无资料
  　土壤吸收系数（Koc）：        无资料
    　亨利定律        无资料
  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。
    炔雌醇甲醚

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

分子结构与计算化学数据展开↓

分子结构数据

1、摩尔折射率：91.10

2、摩尔体积（cm³/mol）：269.4

3、等张比容（90.2K）：715.8

4、表面张力（dyne/cm）：49.8

5、极化率（10-24cm3）：36.11

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:2

5.互变异构体数量:无

6.拓扑分子极性表面积29.5

7.重原子数量:23

8.表面电荷:0

9.复杂度:519

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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