Estradiol valerate

Modify Date: 2024-01-02 21:05:29

Estradiol valerate Structure
Estradiol valerate structure
Common Name Estradiol valerate
CAS Number 979-32-8 Molecular Weight 356.498
Density 1.1±0.1 g/cm3 Boiling Point 486.2±45.0 °C at 760 mmHg
Molecular Formula C23H32O3 Melting Point 144°C
MSDS Chinese USA Flash Point 191.1±21.5 °C
Symbol GHS08
GHS08
Signal Word Danger

 Use of Estradiol valerate


Estradiol valerianate (β-estradiol 17-valerate) is a synthetic estrogen widely used in combination with other steroid hormones in hormone replacement therapy drugs.

 Names

Name Estradiol 17-Valerate
Synonym More Synonyms

 Estradiol valerate Biological Activity

Description Estradiol valerianate (β-estradiol 17-valerate) is a synthetic estrogen widely used in combination with other steroid hormones in hormone replacement therapy drugs.
Related Catalog
Target

Estrogen Receptor/ERR

In Vitro β-estradiol 17-valerate (EV) is a synthetic estrogen widely used in combination with other steroid hormones in hormone replacement therapy drugs and is detected in natural waters. EV is a reproductive toxicant and estrogenic chemical in both male and female fish [1].
References

[1]. Lei, B., et al., beta-estradiol 17-valerate affects embryonic development and sexual differentiation in Japanese medaka (Oryzias latipes). Aquat Toxicol, 2013. 134-135: p. 128-34.

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 486.2±45.0 °C at 760 mmHg
Melting Point 144°C
Molecular Formula C23H32O3
Molecular Weight 356.498
Flash Point 191.1±21.5 °C
Exact Mass 356.235138
PSA 46.53000
LogP 6.62
Vapour Pressure 0.0±1.3 mmHg at 25°C
Index of Refraction 1.568

 MSDS

β-Estradiol 17-Valerate
SAFETY DATA SHEET

Section1. IDENTIFICATION
Product name:β-Estradiol 17-Valerate

Section2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDSNot classified
HEALTH HAZARDS
CarcinogenicityCategory 2
Reproductive toxicityCategory 1B
ENVIRONMENTAL HAZARDSNot classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal wordDanger
Hazard statementsSuspected of causing cancer
May damage fertility or the unborn child
Precautionary statements:
[Prevention]Obtain special instructions before use.
Do not handle until all safety precautions have been read and understood.
Use personal protective equipment as required.
[Response]IF exposed or concerned: Get medical advice/attention.
[Storage]Store locked up.
[Disposal]Dispose of contents/container through a waste management company authorized by
the local government.

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance
Substance/mixture:
Components:β-Estradiol 17-Valerate
Percent:>98.0%(GC)
CAS Number:979-32-8
Chemical Formula:C23H32O3

Section4. FIRST AID MEASURES
Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Inhalation:
Get medical advice/attention.
Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
Skin contact:
soap and water. Get medical advice/attention.
β-Estradiol 17-Valerate

Section4. FIRST AID MEASURES
Rinse cautiously with water for several minutes. Remove contact lenses, if present
Eye contact:
and easy to do. Get medical advice/attention.
Get medical advice/attention.Rinse mouth.
Ingestion:
Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

Section5. FIRE-FIGHTING MEASURES
Dry chemical, foam, water spray, carbon dioxide.
Suitable extinguishing
media:
Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
When extinguishing fire, be sure to wear personal protective equipment.
Special protective
equipment for firefighters:

Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions,Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep
protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should
emergency procedures: be controlled around the leakage area by roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

Section7. HANDLING AND STORAGE
Precautions for safe handling
Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a closed system if possible. Use a local exhaust if dust or aerosol will be
generated.
Advice on safe handling:Avoid all contact!
Conditions for safe storage, including any
incompatibilities
Keep container tightly closed. Store in a cool and dark place.
Storage conditions:
Store locked up.
Store away from incompatible materials such as oxidizing agents.
Packaging material:Comply with laws.

Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls:Install a closed system or local exhaust. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator,
etc. Use respirators approved under appropriate government standards and follow
local and national regulations.
Hand protection:Impervious gloves.
Eye protection:Safety goggles. A face-shield, if the situation requires.
Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C):Solid
Form:Crystal- Powder
Colour:White - Very pale yellow
Odour:Odorless
pH: No data available
Melting point/freezing point:148°C
β-Estradiol 17-Valerate

Section9. PHYSICAL AND CHEMICAL PROPERTIES
No data available
Boiling point/range:
Flash point:No data available
Flammability or explosive
limits:
No data available
Lower:
Upper:No data available
No data available
Relative density:
Solubility(ies):
Insoluble (3.6mg/L, 27°C)
[Water]
[Other solvents]
Ether, Ethanol, Dioxane
Very soluble:
Soluble:Methanol, Chloroform

Section10. STABILITY AND REACTIVITY
Chemical stability:Stable under proper conditions.
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide
products:

Section11. TOXICOLOGICAL INFORMATION
Acute Toxicity:No data available
Skin corrosion/irritation: No data available
Serious eyeNo data available
damage/irritation:
Germ cell mutagenicity: No data available
scu-mus TDLo:400 ug/kg/1W-I
Carcinogenicity:
scu-rat TDLo:104 mg/kg/2Y-I
IARC =No data available
NTP =No data available
Reproductive toxicity:No data available
RTECS Number:KG5793000

Section12. ECOLOGICAL INFORMATION
Ecotoxicity:
No data available
Fish:
Crustacea:No data available
No data available
Algae:
Persistence / degradability: No data available
No data available
Bioaccumulative
potential(BCF):
Mobility in soil
Log Pow:No data available
No data available
Soil adsorption (Koc):
Henry's LawNo data available
constant(PaM3/mol):

Section13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

Section14. TRANSPORT INFORMATION
Hazards Class:Does not correspond to the classification standard of the United Nations
Not listed
UN-No:
β-Estradiol 17-Valerate

Section15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KG5793000
CHEMICAL NAME :
Estradiol, 17-valerate
CAS REGISTRY NUMBER :
979-32-8
LAST UPDATED :
199509
DATA ITEMS CITED :
13
MOLECULAR FORMULA :
C23-H32-O3
MOLECULAR WEIGHT :
356.55
WISWESSER LINE NOTATION :
L E5 B666TTT&J E1 FOV5 OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
336 mg/kg/28D-C
TOXIC EFFECTS :
Liver - changes in liver weight Endocrine - changes in pituitary weight Nutritional and Gross Metabolic - weight loss or decreased weight gain
REFERENCE :
PHTOEH Pharmacology and Toxicology (Copenhagen). (Munksgaard International Pub., POB 2148, DK-1016 Copenhagen K, Denmark) V.60- 1987- Volume(issue)/page/year: 65,217,1989 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
104 mg/kg/2Y-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors
REFERENCE :
CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 5,1003,1984
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
400 ug/kg/W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Skin and Appendages - tumors
REFERENCE :
AVBIB9 Advances in the Biosciences. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1967- Volume(issue)/page/year: 22/23,359,1979 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
10 mg/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - ovaries, fallopian tubes Reproductive - Maternal Effects - menstrual cycle changes or disorders
REFERENCE :
BIREBV Biology of Reproduction. (Soc. for the Study of Reproduction, 309 W. Clark St., Champaign, IL 61820) V.1- 1969- Volume(issue)/page/year: 31,587,1984
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
1 mg/kg
SEX/DURATION :
female 12-19 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - extra-embryonic structures (e.g., placenta, umbilical cord) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
PTLGAX Pathology. (Royal College of Pathologists of Australia, 82 Windmill St., Sydney, NSW, Australia) V.1- 1969- Volume(issue)/page/year: 5,183,1973
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
2 mg/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - menstrual cycle changes or disorders Reproductive - Fertility - other measures of fertility
REFERENCE :
BIREBV Biology of Reproduction. (Soc. for the Study of Reproduction, 309 W. Clark St., Champaign, IL 61820) V.1- 1969- Volume(issue)/page/year: 30,556,1984
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intracerebral
DOSE :
3200 ug/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - ovaries, fallopian tubes
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 25,351,1982
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intracerebral
DOSE :
3200 ug/kg
SEX/DURATION :
female 1 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Paternal Effects - spermatogenesis (incl. genetic material, sperm morphology, motility, and count)
REFERENCE :
TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 25,351,1982
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
67 ug/kg
SEX/DURATION :
female 15-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
BEMTAM Berliner und Muenchener Tieraerztliche Wochenschrift. (Verlag Paul Parey, Lindenstr. 44-47, D-1000 Berlin 61, Fed. Rep. Ger.) V.54- 1938- Volume(issue)/page/year: 88,385,1975
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
50 ug/kg
SEX/DURATION :
female 3 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - menstrual cycle changes or disorders
REFERENCE :
BEMTAM Berliner und Muenchener Tieraerztliche Wochenschrift. (Verlag Paul Parey, Lindenstr. 44-47, D-1000 Berlin 61, Fed. Rep. Ger.) V.54- 1938- Volume(issue)/page/year: 88,385,1975
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
100 ug/kg
SEX/DURATION :
female 9-10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
JRPFA4 Journal of Reproduction and Fertility. (Biochemical Soc. Book Depot, POB 32, Commerce Way, Colchester, Essex CO2 8HP, UK) V.1- 1960- Volume(issue)/page/year: 80,133,1987
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
DOSE :
167 ug/kg
SEX/DURATION :
female 9-10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
BIREBV Biology of Reproduction. (Soc. for the Study of Reproduction, 309 W. Clark St., Champaign, IL 61820) V.1- 1969- Volume(issue)/page/year: 44,1063,1991 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6242 No. of Facilities: 39 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 911 (estimated) No. of Female Employees: 492 (estimated)

 Safety Information

Symbol GHS08
GHS08
Signal Word Danger
Hazard Statements H360
Precautionary Statements P201-P280-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 R60;R61
Safety Phrases S53-S45
RIDADR 2811.0
WGK Germany 3
RTECS KG5793000

 Synthetic Route

~73%

Estradiol valerate Structure

Estradiol valerate

CAS#:979-32-8

Literature: LUPIN LIMITED; Sasane, Sachin Arun; Ahire, Vijay Ashok; Vyas, Rajesh; Bhise, Nandu Baban; Singh, Girij Pal Patent: US2013/225845 A1, 2013 ; Location in patent: Paragraph 0056-0059 ;

~%

Estradiol valerate Structure

Estradiol valerate

CAS#:979-32-8

Literature: Chemical and Pharmaceutical Bulletin, , vol. 11, # 4 p. 510 - 514

~%

Estradiol valerate Structure

Estradiol valerate

CAS#:979-32-8

Literature: Annales Pharmaceutiques Francaises, , vol. 16, p. 757,760, 762

~%

Estradiol valerate Structure

Estradiol valerate

CAS#:979-32-8

Literature: DE702574 , ; DRP/DRBP Org.Chem.

~%

Estradiol valerate Structure

Estradiol valerate

CAS#:979-32-8

Literature: Yakugaku Zasshi, , vol. 76, p. 847 Chem.Abstr., , p. 1237

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 Synonyms

Estradiol valerate
(8R,9S,13S,14S,17S)-3-Hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-ylpentanoat
Estradiol, 17-valerate
Climaval
Estradiol 17β-valerate
(17β)-3-hydroxyestra-1,3,5(10)-trien-17-yl pentanoate
DELESTROGEN
(17β)-3-hydroxyestra-1(10),2,4-trien-17-yl pentanoate
EINECS 213-559-2
Pentanoic acid, (17β)-3-hydroxyestra-1(10),2,4-trien-17-yl ester
17-β-ESTRADIOL 17-VALERATE
Progynon-depot
pentanoate de (8R,9S,13S,14S,17S)-3-hydroxy-13-méthyl-7,8,9,11,12,13,14,15,16,17-décahydro-6H-cyclopenta[a]phénanthrén-17-yle
(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl pentanoate
(17β)-3-Hydroxyestra-1(10),2,4-trien-17-yl valerate
MFCD00056541
(17b)-3-Hydroxyestra-1(10),2,4-trien-17-yl Pentanoate
Progynova
β-Estradiol 17-valerate
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