CAS 84-16-2|hexestrol

Introduction：Basic information about CAS 84-16-2|hexestrol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. hexestrol BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Articles25
7. Synonyms

Common Name	hexestrol
CAS Number	84-16-2	Molecular Weight	270.366
Density	1.1±0.1 g/cm3	Boiling Point	399.5±22.0 °C at 760 mmHg
Molecular Formula	C₁₈H₂₂O₂	Melting Point	186 °C
MSDS	ChineseUSA	Flash Point	181.6±16.9 °C
Symbol	GHS08	Signal Word	Danger

Names

Name	hexestrol
Synonym	More Synonyms

hexestrol BiologicalActivity

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/ERRResearch 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.

Chemical & Physical Properties

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
InChIKey	PBBGSZCBWVPOOL-HDICACEKSA-N
SMILES	CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1

Toxicological Information

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

Safety Information

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

Articles25

Steatohepatitis-inducing drugs trigger cytokeratin cross-links in hepatocytes. Possible contribution to Mallory-Denk body formation.

Toxicol. In Vitro 22(6) , 1511-9, (2008)

Mallory-Denk bodies (MDB) are hepatocyte inclusions containing cytokeratin 8 (CK8) which can develop, along with other steatohepatitis lesions, in patients treated with amiodarone, perhexiline maleate...

Effects of hexestrol on mouse ovarian morphology and ovulation.

Maturitas 60(2) , 153-7, (2008)

To analyze histological aspects of ovaries as well as the ovulation of adult mice treated with the anabolic agent hexestrol.Thirty adult mice were divided into three groups of 10 animals each: (GI) th...

Positive and negative discrimination of estrogen receptor agonists and antagonists using site-specific DNA recombinase fusion proteins.

Mol. Endocrinol. 12(8) , 1120-32, (1998)

Activation of the estrogen receptor (ER) by hormone involves at least two steps. First, hormone binding initially relieves repression, a property imposed on ER in cis by its ligand-binding domain (EBD...

Synonyms

Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-

Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-, (R*,S*)-

Synestrol

meso-3,4-Bis-(4-hydroxy-phenyl)-hexan

Hexoestrolum

hexestrol

Synthovo

Hexron

(R*,S*)-4,4'-(1,2-diethyl-1,2-ethanediyl)bis-phenol

Extra-Plex

Hexane, 3,4-bis(p-hydroxyphenyl)-

Vitestrol

Estronal

Sinestrol

Estrifar

EINECS 201-518-1

4,4'-(3,4-Hexanediyl)diphenol

MFCD00068996

(R*,S*)-4,4'-(1,2-Diethyl-1,2-ethanediyl)bisphenol

4,4'-(1,2-Diethylethylene)diphenol

meso-3,4-bis-(4-hydroxyphenyl)hexane

Estra-Plex

Phenol, 4,4'- (1,2-diethyl-1,2-ethanediyl)bis-

4,4'-hexane-3,4-diyldiphenol

γ,δ-Di(p-hydroxyphenyl)-hexane

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