Hexestrol 己烷雌酚

CAS 84-16-2 MFCD00068996

化学结构图

84-16-2
SMILES: CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1

化学属性

Mol. FormulaC18H22O2
Mol. Weight270.37
Appearance 50 (小鼠，经口)1000mg/kg。 无色针状结晶。Mp185-188℃。不溶于水和稀无机酸，微溶于苯和氯仿，溶于甲醇、乙醇、丙酮、植物油和碱溶液，易溶于乙醚。低毒, LD
Melting Point184.0 to 188.0 deg-C
Stability对光敏感
Density1.093

别名和识别编码

Chemical NameHexestrol
MDL NumberMFCD00068996
CAS Number84-16-2
Synonym Stilbestrol, dihydro- {uni_hamburg} 4,4’-(1,2-diethyl-1,2-ethanediyl)bis-,(r*,s*)-pheno hexestrol Syntrogene hexestrol (INN) 4,4ˊ-二羟-Γ,Δ-二苯己烷 六羟春情素 4,4′-(1,2-二乙基亚乙基)二苯酚 二羟二苯己烷 六羟春情素 去氢己 meso-3,4-Bis(p-hydroxyphenyl)-n-hexane 4,4'-Dihydroxy-alpha,beta-diethyldiphenylethane Synestrol alpha,alpha’-diethyl-4,4’-dihydroxy-bibenzy Dihydrostilbestrol 己雌酚,HEXOESTROL alpha,alpha’-dieth 4,4'-Dihydroxy-gamma,delta-diphenylhexane 4,4'-(1,2-diethylethylene)diphenol 4,4’-(1,2-diethyl-1,2-ethylenediyl)bis-,(r*,s*)-pheno Hexanoestrol Hexane, 3,4-bis(p-hydroxyphenyl)- 4,4'-(1,2-DIETHYLETHYLENE)DIPHENOL 3,4-BIS-(P-HYDROXYPHENYL)-HEXANE HEXOESTROL {C Phenol, 4,4'-(1,2-diethyl-1,2-ethylenediyl)bis-, (R*,S*)- 3,4-Bis(p-hydroxyphenyl)hexane 3,4-DI(P-HYDROXYPHENYL)HEXANE 4’-(1,2-diethylethylene)d MESO-3,4-BIS[4-HYDROXYPHENYL]-HEXANE Hexane {Chemicalbook gamma,delta-Di(p-hydroxyphenyl)-hexane 4,4'-(1,2-二乙基亚乙基)二苯酚 己烷雌酚/去氢己烯雌酚/4,4'-(1,2-二乙基亚乙基)二苯酚 Sinestrol 二羟二苯己烷 DIHYDRODIETHYLSTILBESTROL Phenol, 4,4'-(1,2-diethylethylene)di- 4,4’-dihydroxy-alpha,beta-diethyldiphenylethane Hexestrol Phenol, 4,4'-(1,2-dieth Vitestrol meso-3,4-Di(p-hydroxyphenyl)-n-hexane 4,4’-(1,2-diethyl-1,2-ethanediyl)bis-phenol Extra-plex 3,4-bi Cycloestrol 4,4’-dihydroxy-gamma,delta-diphenylhexane
PubChem Substance ID87567163
Beilstein Registry Number6(3)5503
EC Number201-518-1
Chemical Name Translation己烷雌酚
Merck Number4701
Reaxys-RN2056686
Wiswesser Line NotationQR DY2&Y2&R DQ
LabNetwork Molecule IDLN01298750
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分类

  • {SNA} Additional St
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography,
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Bioactive Small Molecules, Cell Biology, Chromatography, Drugs & Metabolites, Forensic and Veterinary Standards, H, HA -HT, Neat Compounds
  • {SNA} Alphabetical Index of Analytical Standards, Analytical Standards, Analytical/Chromatography, Application Areas and Market Segments, Chromatography, Clinical Standards, H, HA -HT, Hormones, Neats and Solutions, Pharma
  • {SNA} Alphabetical Index

产品应用

  • 可致癌物质的己烷雌酚是一种非类固醇合成雌激素。

相关文献及参考

  • Short: II/27B
  • Short: EINECS
  • Beilstein:6(3)5503

安全信息

GHS Symbol
Precautionary statements
  • P308+P313
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P405 Store locked up. 上锁保管。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
Hazard statements
  • H350 May cause cancer 可能致癌
WGK Germany2
Signal word Danger
RTECSSL0560850
Personal Protective Equipment Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
Safety Statements
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
  • S53 Avoid exposure - obtain special instructions before use 避免接触，使用前获得特别指示说明；
Hazard Codes T
Risk Statements
  • R45 May cause cancer 可能致癌
Storage condition 密封避光保存。 
TYPE OF TEST            : TDLo - Lowest publ

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 74 mg/kg/69W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   VRDEA5 Vrachebnoe Delo.  Medical Practice.  (V/O Mezhdunarodnaya Kniga,
   113095 Moscow, USSR) No.1-    1918-  Volume(issue)/page/year: (6),46,1962

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 74 mg/kg/56W-I
TOXIC EFFECTS :
   Tumorigenic - Carcinogenic by RTECS criteria
   Skin and Appendages - tumors
REFERENCE :
   VRDEA5 Vrachebnoe Delo.  Medical Practice.  (V/O Mezhdunarodnaya Kniga,
   113095 Moscow, USSR) No.1-    1918-  Volume(issue)/page/year: (6),46,1962

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Implant
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 540 ug/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Reproductive - Tumorigenic effects - uterine tumors
REFERENCE :
   BSBSAS Boletin de la Sociedad de Biologia de Santiago de Chile. (Santiago,
   Chile)  V.1-12, 1943-55. Discontinued.  Volume(issue)/page/year: 8,142,1951

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - hamster
DOSE/DURATION           : 360 mg/kg
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Kidney, Ureter, Bladder - Kidney tumors
REFERENCE :
   CBINA8 Chemico-Biological Interactions.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1969-  Volume(issue)/page/year:
   55,157,1985

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 200 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: 6,743,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >3 gm/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: 6,744,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Y

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1 gm/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: 6,743,1982

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >2 gm/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: 6,744,1982

{h

TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Rodent - hamster Embryo
DOSE/DURATION           : 1 mg/L
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   44,184,1984

TYPE OF TEST            : Sex chromosome loss and nondisjunction
TEST SYSTEM             : Rodent - hamster Fibroblast
DOSE/DURATION           : 75 umol/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 171,31,1986

TYPE OF TEST            : Unscheduled DNA synthesis
ROUTE OF EXPOSURE       : Subcutaneous
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 400 mg/kg
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut
   Sts., Philadelphia, PA 19106)  V.1-    1941-  Volume(issue)/page/year:
   48,14,1988

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Rodent - hamster Embryo
DOSE/DURATION           : 3 mg/L
REFERENCE :
   CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House,
   Southfield Road, Eynsham, Oxford OX8 1JJ, UK)  V.1-    1980-
   Volume(issue)/page/year: 7,1329,1986

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 250 ug/kg
SEX/DURATION            : female 5 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Fertility - female fertility index (e.g. # females pregnant
   per # sperm positive females; # females pregnant per # females mated)
REFERENCE :
   CHTPBA Chimica Therapeutica.  (Paris, France)  V.1-8, 1965-73.  For
   publisher information, see EJMCA5.  Volume(issue)/page/year: 4,1,1969

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 3 mg/kg
SEX/DURATION            : female 19-21 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - urogenital system
   Reproductive - Effects on Newborn - stillbirth
REFERENCE :
   BEXBAN Bulletin of Experimental Biology and Medicine (English Translation).
   Translation of BEBMAE. (Plenum Pub. Corp., 233 Spring St., New York, NY
   10013)  V.41-    1956-  Volume(issue)/page/year: 90,1597,1980

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 546 mg/kg
SEX/DURATION            : female 91 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - ovaries, fallopian tubes
   Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
   YACHDS Yakuri to Chiryo.  Pharmacology and Therapeutics.  (Raifu Saiensu
   Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan)  V.1-    1972-
   Volume(issue)/page/year: 7,3355,1979

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - guinea pig
DOSE                    : 150 mg/kg
SEX/DURAT

其他信息

  • 用途一:生化研究，雌性激素合成代用品。
  • 4,4'-(1,2-二乙基亚乙基)二苯酚价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 D0494 己烷雌酚 Hexestrol 1G 594元 2014/06/02 D0494 己烷雌酚 Hexestrol 10G 2700元
  • 用途二:用于生化研究。
  • MOL 文件:84-16-2.mol
  • 方法一:1-甲氧基-4-丙烯基苯与溴化氢加成、铁还原缩合、碘化氢脱甲基制得。
  • 上游原料:茴香脑
  • 易溶于乙醚，溶于丙酮、乙醇、甲醇、植物油和碱溶液，微溶于苯和氯仿，几乎不溶于水和稀矿酸。低毒，半数致死量（小鼠，经口）1000mg/kg。有致癌的可能性。有刺激性。
  • Sigma Aldrich:84-16-2(sigmaaldrich)
  • TCI Shanghai:4,4'-(1,2-二乙基亚乙基)二苯酚 Hexestrol,>;98.0%(GC)(84-16-2)

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. H - Bioactive Small Molecules
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Chromatography - Analytical Standards
  4. Forensic and Veterinary Standards - Chromatography
  5. Drugs & Metabolites - Forensic and Veterinary Standards
  6. Neat Compounds - Drugs & Metabolites
  1. Analytical & Chromatography 分析化学与色谱
  2. Analytical Standards
  3. Alphabetic - Analytical Standards
  4. H - Alphabetic
  5. HA -HT - H

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