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84-16-2

84-16-2 structure
84-16-2 structure

Name hexestrol
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
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
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
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