Hexoestrol

Description

Hexoestrol · CAS 84-16-2 · C18H22O2. UNII 10BI795R7D. Melting Point: 185; Melting Point: 185-188 °C.

Identification

CAS Registry Number	84-16-2
PubChem CID	192197
Molecular formula	C18H22O2
IUPAC name	4-[(3S,4R)-4-(4-hydroxyphenyl)hexan-3-yl]phenol
UNII (FDA)	10BI795R7D

Computed Descriptors

Molecular Weight	270.4
XLogP3	5.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	270.161979940
Monoisotopic Mass	270.161979940
Topological Polar Surface Area	40.5
Heavy Atom Count	20
Formal Charge	0

Physical & Chemical Properties

Melting Point	185
Melting Point	185-188 °C

Physical description & handling notes

• NEEDLES FROM BENZENE, THIN PLATES FROM DIL ALC
• WHITE CRYSTALLINE POWDER
• ODORLESS
• CRYSTALS; MP: 137-139 °C /DIACETATE/
• CRYSTALS FROM PETROLEUM ETHER; MP: 127-128 °C /DIPROPIONATE/
• FREELY SOL IN ETHER; SOL IN ACETONE, ALCOHOL, METHANOL, DILUTE SOLN OF ALKALI HYDROXIDES, VEGETABLE OILS UPON SLIGHT WARMING; SLIGHTLY SOL IN BENZENE, CHLOROFORM; PRACTICALLY INSOL IN WATER, DIL MINERAL ACIDS

GHS Hazard Classification

Reported hazard statements	H350 (100%)

Documented Uses

• Hexestrol is a synthetic estrogen that has been used as a hormonal antineoplastic agent.
• FROM ANETHOLE HYDROGEN BROMIDE: CAMPBELL ET AL, PROC ROY SOC B128, 253 (1940)...US PATENT 2,357,985 (1944)... BY REDUCTION OF GRIGNARD COMPD WITH COBALTOUS CHLORIDE: KHARASCH ET AL, J AM CHEM SOC 65, 491 (1943).
• Antineoplastic Agents, Hormonal; Estrogens, Non-Steroidal
• OSTEOPOROSIS...SENILE OSTEOPOROSIS.../&/...POSTMENOPAUSAL OSTEOPOROSIS. ... DEMONSTRATED THAT, AFTER SEVERAL MO OF ESTROGEN REPLACEMENT IN POSTMENOPAUSAL PT, CALCIUM BALANCE BECOMES POSITIVE & PLASMA ALKALINE PHOSPHATASE ACTIVITY & BONE RESORPTION DECR TO NORMAL. /ESTROGENS/
• HIRSUTISM. .../IF/ MILD ANDROGENIC INFLUENCE OF OVARIAN...IS SUSPECTED. ... SUPPRESSION OF OVARY WITH ESTROGEN MAY BE WORTHWHILE. ... PREVENTION OF HEART ATTACKS. ...FAVORED POSITION OF WOMEN IN INCIDENCE OF FATAL MYOCARDIAL INFARCTION, ESTROGEN THERAPY HAS BEEN TRIED AS PROPHYLACTIC MEASURE IN MEN. /ESTROGENS/
• For more Therapeutic Uses (Complete) data for HEXESTROL (11 total), please visit the HSDB record page.

Synonyms

hexestrol; 84-16-2; meso-Hexestrol; Hexoestrol; Hexanoestrol; Mesohexestrol; Erythrohexestrol; Hormoestrol; Cycloestrol; Estronal; Hexestrofen; Synthovo; Syntrogene; Estrifar; Extra-plex; meso-3,4-Di(p-hydroxyphenyl)-n-hexane

Frequently Asked Questions

What are the CAS number and molecular formula of Hexoestrol?

CAS 84-16-2; molecular formula C18H22O2; molecular weight — g/mol.

What other names is Hexoestrol known by?

hexestrol, 84-16-2, meso-Hexestrol, Hexoestrol, Hexanoestrol, Mesohexestrol.

Is Hexoestrol classified as hazardous?

Hazard statements reported: H350.

What are the key physical properties of Hexoestrol?

Melting Point: 185; Melting Point: 185-188 °C.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.