ChemicalBook--->CAS DataBase List--->5635-50-7

5635-50-7

5635-50-7 Structure

5635-50-7 Structure
IdentificationBack Directory
[Name]

HEXESTROL
[CAS]

5635-50-7
[Synonyms]

Esestrolo
NSC 229419
HEXOESTROL
HEXOESTROLUM
DIHYDRODIETHYLSTILBESTROL
3,4-DI(P-HYDROXYPHENYL)HEXANE
4,4'-(3,4-Hexanediyl)bisphenol
3,4-BIS(4-HYDROXYPHENYL)HEXANE
3,4-BIS-(P-HYDROXYPHENYL)-HEXANE
4,4'-(1,2-DIETHYLETHYLENE)DIPHENOL
4,4'-(1,2-Diethylethylene)bisphenol
MESO-3,4-BIS[4-HYDROXYPHENYL]-HEXANE
Phenol, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-
[EINECS(EC#)]

227-082-2
[Molecular Formula]

C18H22O2
[MDL Number]

MFCD00068996
[MOL File]

5635-50-7.mol
[Molecular Weight]

270.37
Chemical PropertiesBack Directory
[Water Solubility ]

11.8mg/L(temperature not stated)
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

45
[Safety Statements ]

53-45
[RIDADR ]

3249
[WGK Germany ]

2
[RTECS ]

SL0560850
[HazardClass ]

6.1(b)
[PackingGroup ]

III
Hazard InformationBack Directory
[Uses]

Vitestrol can be used in methods related to bioactive agents that convert from anions to molecules
[Definition]

ChEBI: Hexestrol is a stilbenoid.
[Brand name]

Synoestrolum.
[World Health Organization (WHO)]

Hexestrol is a stilbene derivative. See WHO comment for diethylstilbestrol. (Reference: (WHODI) WHO Drug Information, 77.1, 16, 1977)
[Purification Methods]

Crystallise meso-Hexestero from *benzene or aqueous EtOH (m 185-188o). The meso-dibenzoyl derivative has m 236-237o. The 3RS,4RS(±)-racemate [5776-72-7] crystallises from pet ether, *C6H6/pet ether, Et2O/pet ether, or MeOH/H2O and has m 128-129o . The (±)-dibenzoyl derivative has m 123-124o . The 3R,4R(+)-isomer [26614-21-1] and 3S,4S(-)-isomer [26614-22-2] crystallise from Et2O/pet ether with m 80 -80.5o and have [] D (+) and (-) 17.7o (c 5, EtOH). Their dibenzoyl derivatives have m 116.5o .[Beilstein 6 III 5503, 6 IV 6761.] They have estrogenic activity where optically active forms are more potent and they have antineoplastic activity. [Aboul-Enein et al. Anal Profiles Drug Subst 11 347 1982, J Am Chem Soc 65 4911941.]
Spectrum DetailBack Directory
[Spectrum Detail]

HEXESTROL(5635-50-7)MS
HEXESTROL(5635-50-7)1HNMR
HEXESTROL(5635-50-7)13CNMR
HEXESTROL(5635-50-7)IR1
HEXESTROL(5635-50-7)IR2
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