hexestrol

Modify Date: 2026-07-04 12:41:50

hexestrol structure	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	Chinese USA	Flash Point	181.6±16.9 °C
	Symbol	GHS08	Signal Word	Danger

Use of hexestrol

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].

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name	hexestrol
Synonym	More Synonyms

This table contains bioactivity, target information and biological‑assay experimental data of this compound.

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.

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

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

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

hexestrol MSDS(Chinese)

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

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

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

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

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

This table lists upstream starting materials and downstream derivative products related to this chemical.

Precursor 8
CAS#:1160112-09-3 (Z)-3,4-bis(4-b... CAS#:13026-26-1 Phenol,4-[(1R,2... CAS#:5349-60-0 1-(4-methoxyphe... CAS#:56-53-1 Diethylstilbestrol
CAS#:101564-54-9 3,4-bis(4-hydro... CAS#:5424-88-4 2-Hexanone,3,4-... CAS#:13029-44-2 E,E-Dienestrol CAS#:24705-61-1 Dienestroldiacetat
DownStream 6
CAS#:13026-26-1 Phenol,4-[(1R,2... CAS#:130-78-9 Benzene,1,1'-(1... CAS#:130-73-4 Promethoestrol CAS#:36557-18-3 hexestrol dibutyrate
CAS#:4825-53-0 hexestrol dipro... CAS#:41172-52-5 2-amino-4-[4-(3...

This table lists relevant public references with title, journal and publication metadata for this compound.

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...

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

Name: Increase the activity of the Burkholderia fixLJ 2-component system
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
Target: Burkholderia multivorans
External Id: HMS1625

Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482

Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes: qHTS ...
Source: 824
Target: N/A
External Id: P53MS837

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898

Total 305, Current Page 1 of 31

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

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

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

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

γ,δ-Di(p-hydroxyphenyl)-hexane

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the CAS number of hexestrol?

A: CAS number of hexestrol is 84-16-2.

Q: What are the downstream products of hexestrol?

A: Related downstream products(CAS) of hexestrol: 13026-26-1;130-78-9;130-73-4;36557-18-3;4825-53-0;41172-52-5.

Q: What are the upstream materials of hexestrol?

A: Related upstream materials(CAS) of hexestrol: 1160112-09-3;13026-26-1;5349-60-0;56-53-1;101564-54-9;5424-88-4;13029-44-2;24705-61-1.

Q: What are the uses of hexestrol?

A: Main uses of hexestrol: 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].

Q: What is the English name of hexestrol?

A: The English name of hexestrol is hexestrol.

Q: What is the boiling point of hexestrol?

A: Boiling point of hexestrol is 399.5±22.0 °C at 760 mmHg.

Q: What is the LogP of hexestrol?

A: LogP of hexestrol is 4.98.

Q: What is the InChIKey of hexestrol?

A: InChIKey of hexestrol is PBBGSZCBWVPOOL-HDICACEKSA-N.

Q: What is the molecular formula of hexestrol?

A: Molecular formula of hexestrol is C18H22O2.

Q: What is the melting point of hexestrol?

A: Melting point of hexestrol is 186 °C.

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd

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