CAS 84-16-2 MFCD00068996-Hexestrol 己烷雌酚 TAO{mole}

Hexestrol 己烷雌酚

CAS 84-16-2 MFCD00068996

化学结构图

SMILES: CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O)cc1

化学属性

Mol. Formula	C18H22O2
Mol. Weight	270.37
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 Point	184.0 to 188.0 deg-C
Stability	对光敏感
Density	1.093

别名和识别编码

Chemical Name	Hexestrol
MDL Number	MFCD00068996
CAS Number	84-16-2
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 ID	87567163
Beilstein Registry Number	6(3)5503
EC Number	201-518-1
Chemical Name Translation	己烷雌酚
Merck Number	4701
Reaxys-RN	2056686
Wiswesser Line Notation	QR DY2&Y2&R DQ
LabNetwork Molecule ID	LN01298750

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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。

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)