CAS 979-32-8|Estradiol valerate

Introduction：Basic information about CAS 979-32-8|Estradiol valerate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Estradiol valerate BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Articles52
7. Synonyms

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	ChineseUSA	Flash Point	191.1±21.5 °C
Symbol	GHS08	Signal Word	Danger

Names

Name	Estradiol 17-Valerate
Synonym	More Synonyms

Estradiol valerate BiologicalActivity

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	Signaling Pathways >>Others >>Estrogen Receptor/ERRResearch Areas >>Endocrinology
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
InChIKey	RSEPBGGWRJCQGY-RBRWEJTLSA-N
SMILES	CCCCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C

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
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

Articles52

Combined effects of estrogenic chemicals with the same mode of action using an estrogen receptor binding bioassay.

Environ. Toxicol. Pharmacol. 38(3) , 829-37, (2014)

The increasing amounts of various estrogenic chemicals coexisting in the aquatic environment may pose environmental risks. While the concept of estradiol equivalent (EEQ) has been frequently applied i...

Neonatal outcomes after the implantation of human embryos vitrified using a closed-system device.

J. Assist. Reprod. Genet. 32(4) , 521-6, (2015)

Closed vitrification poses a risk of adversely affecting embryo development, while it may minimize the risk of contamination. We assessed the effects of closed-system human embryo vitrification on fet...

Direct analysis in real time - high resolution mass spectrometry (DART-HRMS): a high throughput strategy for identification and quantification of anabolic steroid esters.

Drug Test. Anal. 7 , 603-8, (2015)

High throughput screening is essential for doping, forensic, and food safety laboratories. While hyphenated chromatography-mass spectrometry (MS) remains the approach of choice, recent ambient MS tech...

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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