84-16-2

84-16-2 structure

Name: hexestrol
Chemical Name: hexestrol
CAS Number: 84-16-2
Molecular Formula: C₁₈H₂₂O₂
Molecular Weight: 270.366
Catalog: Organic raw materials Hydrocarbon compounds and their derivatives Hydrocarbon halide
Create Date: 2018-06-01 08:00:00
Modify Date: 2026-07-04 12:41:50
Hexestrol is a nonsteroidal synthetic estrogen. Hexestrol can be used for the research of the diseases caused by estrogen deficiencym, and it also can increase the weight of cattle[1][2].

Name	hexestrol
Synonyms	Hexestrol solution,100ppm Phenol, 4,4'-(1,2-diethylethylene)di Bibenzyl, alpha,alpha'-diethyl-4,4'-dihydroxy 3,4-BIS-(P-HYDROXYPHENYL)-HEXANE Phenol, 4,4'-(1,2-diethyl-1,2-ethylenediyl)bis-, (R,S) 4,4'-(1,2-DIETHYLETHYLENE)DIPHENOL 4,4'-Dihydroxy-gamma,delta-diphenylhexane gamma,delta-Di(p-hydroxyphenyl)-hexane Hexane, 3,4-bis(p-hydroxyphenyl) 4,4'-Dihydroxy-alpha,beta-diethyldiphenylethane Extra-Plex Estronal Sinestrol Hexanoestrol Solution, 100ppm 4,4'-(3,4-Hexanediyl)diphenol Estrif MFCD00068996 2-(1-hydroxycyclohexyl)acetic acid butyl ester 4,4'-(1,2-Diethylethylene)diphenol 4,4’-(1,2-diethyl-1,2-ethanediyl)bis-,(r,s)-pheno meso-3,4-Bis(p-hydroxyphenyl)-n-hexane Hexoestrol rel-4,4'-[(1R,2S)-1,2-Diethyl-1,2-ethanediyl]bisphenol alpha,alpha’-diethyl-4,4’dihydroxy-bibenzy dihydro-stilbestro DIHYDRODIETHYLSTILBESTROL DL-HEXESTROL Estra-Plex Stilbestrol, dihydro 4,4'-hexane-3,4-diyldiphenol γ,δ-Di(p-hydroxyphenyl)-hexane 3,4-bis(p-hydroxyphenyl)-hexan MESO-3,4-BIS[4-HYDROXYPHENYL]-HEXANE (R,S)-4,4'-(1,2-diethylethylene)bis(phenol) Phenol, 4,4'-(1,2-diethylethylene)di-, meso Synestrol 3,4-DI(P-HYDROXYPHENYL)HEXANE alpha,alpha’-diethyl-4,4’-dihydroxy-bibenzy meso-3,4-Bis-(4-hydroxy-phenyl)-hexan 4,4'-(hexane-3,4-diyl)diphenol meso-Hexestrol Hexoestrolum Synthovo [CH(C2H5)C6H4OH]2 Hexestrol(Bibenzyl) Hexron (R,S)-4,4'-(1,2-diethyl-1,2-ethanediyl)bis-phenol 4,4’-dihydroxy-gamma,delta-diphenylhexane Hexanoestrol meso-3,4-Di(p-hydroxyphenyl)-n-hexane HEXOESTROLUM Vitestrol Dihydrostilbestrol Estrifar EINECS 201-518-1 HEXESTEROL VETRANAL NSC-9894 Cycloestrol Hexestrofen Hormoestrol (R,S)-4,4'-(1,2-Diethyl-1,2-ethanediyl)bisphenol 4,4''-(1,2-DIETHYLETHYLENE)DIPHENOL 4,4’-dihydroxy-alpha,beta-diethyldiphenylethane 4,4’-(1,2-diethyl-1,2-ethylenediyl)bis-,(r,s)-pheno Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-, (R,S) Phenol,4,4'-[(1R,2S)-1,2-diethyl-1,2-ethanediyl]bis-, rel 4’-(1,2-diethylethylene)di-meso-pheno meso-3,4-bis-(4-hydroxyphenyl)hexane 4,4μ-(1,2-Diethylethylene)diphenol, meso-3,4-Bis(4-hydroxyphenyl)hexane, Dihydrodiethylstilbestrol MESO-HEXOESTROL 4,4’-(1,2-diethyl-1,2-ethanediyl)bis-phenol

Description	Hexestrol is a nonsteroidal synthetic estrogen. Hexestrol can be used for the research of the diseases caused by estrogen deficiencym, and it also can increase the weight of cattle[1][2].
Related Catalog	Signaling Pathways >> Others >> Estrogen Receptor/ERR Research Areas >> Endocrinology
In Vivo	Hexestrol (3 and 6 mg/kg; i.p. once daily for 30 days) has a not significant influence in the ovaries from mice at the dose of 3 mg/kg[2]. Animal Model: Mus musculus (90-120 days, 25-50 g)[2] Dosage: 3, 6 mg/kg (adopted the same dose used to increase weight gain in cattle) Administration: I.p. once daily for 30 days Result: Numerous follicles in different stages of development were found at the dose of 3 mg/kg in the ovaries. Not detected the corpora lutea (CL) at the dose of 6 mg/kg.
References	[1]. HARDING FE, et, al. The oral use of hexestrol for estrogen deficiency. Am J Obstet Gynecol. 1946 May; 51: 660-5. [2]. Oliveira JM, et, al. Effects of hexestrol on mouse ovarian morphology and ovulation. Maturitas. 2008 Jun 20; 60(2): 153-7.

Density	1.1±0.1 g/cm3
Boiling Point	399.5±22.0 °C at 760 mmHg
Melting Point	186 °C
Molecular Formula	C₁₈H₂₂O₂
Molecular Weight	270.366
Flash Point	181.6±16.9 °C
Exact Mass	270.161987
PSA	40.46000
LogP	4.98
Vapour Pressure	0.0±1.0 mmHg at 25°C
Index of Refraction	1.582

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SL0560850

CHEMICAL NAME :: Phenol, 4,4'-(1,2-diethylethylene)di-, meso-

CAS REGISTRY NUMBER :: 84-16-2

LAST UPDATED :: 199510

DATA ITEMS CITED :: 28

MOLECULAR FORMULA :: C18-H22-O2

MOLECULAR WEIGHT :: 270.40

WISWESSER LINE NOTATION :: QR DY2&Y2&R DQ

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 :: >2 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 :: 200 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 :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1 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 :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1 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 - mouse

DOSE/DURATION :: 200 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 :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >3 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 19500 mg/kg/26W-I

TOXIC EFFECTS :: Endocrine - changes in pituitary weight Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - changes in uterine weight

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 39 gm/kg/52W-I

TOXIC EFFECTS :: Behavioral - food intake (animal) Endocrine - changes in spleen weight 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 :: 2520 mg/kg/42D-I

TOXIC EFFECTS :: Liver - changes in liver weight Endocrine - changes in pituitary weight Related to Chronic Data - changes in uterine weight

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 :: Kidney, Ureter, Bladder - other changes in urine composition Blood - normocytic anemia Biochemical - Metabolism (Intermediary) - lipids including transport

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 540 mg/kg/90D-I

TOXIC EFFECTS :: Behavioral - food intake (animal) Blood - normocytic anemia Nutritional and Gross Metabolic - weight loss or decreased weight gain

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 540 mg/kg/90D-I

TOXIC EFFECTS :: Kidney, Ureter, Bladder - other changes in urine composition Blood - normocytic anemia Nutritional and Gross Metabolic - weight loss or decreased weight gain

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravaginal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 18 mg/kg/17W-I

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Reproductive - Tumorigenic effects - ovarian tumors

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

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

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

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 - hamster

DOSE/DURATION :: 800 mg/kg/26W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

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)

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

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

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Unreported

DOSE :: 150 mg/kg

SEX/DURATION :: female 21 week(s) pre-mating

TOXIC EFFECTS :: Reproductive - Maternal Effects - uterus, cervix, vagina

TYPE OF TEST :: Unscheduled DNA synthesis

MUTATION DATA

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 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,279,1987

Symbol	GHS08
Signal Word	Danger
Hazard Statements	H350
Precautionary Statements	P201-P308 + P313
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
Hazard Codes	T: Toxic;
Risk Phrases	45
Safety Phrases	S53-S45
RIDADR	NONH for all modes of transport
WGK Germany	2
RTECS	SL0560850

Precursor 8
1160112-09-3 13026-26-1 5349-60-0 56-53-1
101564-54-9 5424-88-4 13029-44-2 24705-61-1
DownStream 6
13026-26-1 130-78-9 130-73-4 36557-18-3
4825-53-0 41172-52-5

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