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ethinyl estradiol
** ethinyl estradiol ** EE ** aethinyloestradiolum ** etinilestradiol ** 17alpha-ethinyloestradiol ** Translations

Environmental Fate - Ecotoxicology - Human Health - A to Z Index - Home

GENERAL INFORMATION Click here for an explantaion of the general chemical status information
for ethinyl estradiol

Description: A prescription drug that is used to start the heat cycle in horses and to prevent pregnancy in cats and dogs

Availability status: -

Introduction & key dates: 1943, USA

Examples of species treated: Dogs, Cats, Horses

Chemical structure: Click here for further information on the general chemical status information used on this site
Isomerism -
Chemical formula C20H24O2
Canonical SMILES CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O
Isomeric SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O
International Chemical Identifier key (InChIKey) BFPYWIDHMRZLRN-SLHNCBLASA-N
International Chemical Identifier (InChI) InChI=1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1
2D structure diagram/image available? Yes

General status: Click here for further information on the general chemical status information used on this site
Veterinary substance type Contraceptive, Hormone therapy, Medicinal drug
Substance group Oestrogen
Minimum active substance purity -
Known relevant impurities -
Substance origin Semi-synthetic
Mode of action Diffuses into the target cells and interacts with a protein receptor
Molecular targets Estrogen receptor, agonist
Orphan nuclear receptor PXR, agonist
CAS RN 57-63-6
EC number 200-342-2
CIPAC number -
US EPA chemical code -
PubChem CID -
ATCvet Code QG03CA03
Therapeutic Class Genito urinary system & sex hormones: Sex hormones & modulators of the genital system
Controlled Drug? No
Regulation 37/2010 MRL Classification No data
Molecular mass (g mol-1) 296.40
PIN (Preferred Identification Name) -
IUPAC name 19-nor-17α-pregna-1,3,5(10)-trien-20-yne-3,17-diol
CAS name (17-α)-19-norpregna-1,3,5(10)-trien-20-yne-3,17,diol
Other status information Found in water bodies
Relevant Environmental Water Quality Standards -
Physical state Creamy coloured solid
Related substances & organisms -

Formulations:
Property Click here for information on the general product and branding information used on this site Product Manufacturer Authorisation Route UK Legal Class
Example products using this active None identified None identified No UK authorisation for use with animals Not applicable
Formulation and application details Usually administered orally.


ENVIRONMENTAL FATE

for ethinyl estradiol

Property Click here for information on the parameters used to describe environmental fate on this site Value Source/Quality Score/Other Information Click here for information on the primary data sources used to populate this database with fate data Interpretation Click here for information on the way in which we interpret environmental fate data
Solubility - In water at 20oC (mg l-1) 4.8 R3 Low
Solubility - In organic solvents at 20oC (mg l-1) 166 CA2 - Ethanol -
250 CA2 - Ether -
200 CA2 - Acetone -
50 CA2 - Chloroform -
Melting point (oC) 183 F4 -
Boiling point (oC) Decomposes before boiling F4 -
Degradation point (oC) - - -
Flashpoint (oC) - - -
Octanol-water partition coefficient at pH 7, 20oC P 1.41 X 1004 Calculated -
Log P 4.15 R3 High
Bulk density (g ml-1)/Specific gravity - - -
Dissociation constant (pKa) at 25oC 10.21 R3 -
Note:
Vapour pressure at 20oC (mPa) - - -
Henry's law constant at 25oC (Pa m3 mol-1) - - -
GUS leaching potential index Click here for a note on the limitations of the GUS index - - -
Maximum UV-vis absorption L mol-1 cm-1 - - -
Surface tension (mN m-1) - - -
Refractive Index 87.37 Q3 -

Degradation:
Property Click here for information on the parameters used to describe substance degradation Value Source/Quality Score/Other Information Click here for information on the primary data sources used to populate this database with degradation data Interpretation Click here for information on the way in which we interpret substance degradation data
Soil degradation (days) (aerobic) DT50 (typical) - - -
DT50 (lab at 20oC) - - -
DT50 (field) - - -
DT90 (lab at 20oC) - - -
DT90 (field) - - -
Note: -
Manure DT50 (days) - - -
Aqueous photolysis DT50 (days) at pH 7 Value - - -
Note -
Aqueous hydrolysis DT50 (days) at 20oC and pH 7 Value - - -
Note -
Water-sediment DT50 (days) - - -
Water phase only DT50 (days) - - -

Soil adsorption and mobility:
Property Click here for information on the parameters used to describe substance adsorption and mobility Value Source/Quality Score/Other Information Click here for information on the primary data sources used to populate this database with adsorption and mobility data Interpretation Click here for information on the way in which we interpret substance adsorption and mobility
Linear Kd - - -
Koc -
Notes and range -
Freundlich Kf - - -
Kfoc -
1/n -
Notes and range -
pH sensitivity -

Other known metabolites:
Metabolite name and reference Aliases Formation medium / Rate Estimated maximum occurrence fraction Metabolising enzymes
2-methoxyethinylestradiol - Rat (Liver) - -
2-hydroxyethinylestradiol-3-methy1 ether - Rat (Liver) - -
2-hydroxyethinylestradiol
Note: Main metabolic product in liver
- Rats (liver), Human (Liver) - Cytochrome P450 3A4


ECOTOXICOLOGY

for ethinyl estradiol

Property Click here for information on the parameters used to describe substance ecotoxicology Value Source/Quality Score/Other Information Click here for information on the primary data sources used to populate this database with ecotoxicology data Interpretation Click here for information on the way in which we interpret substance ecotoxicology
Bio-concentration factor BCF (l kg-1) - - -
CT50 (days) - -
Mammals - Acute oral LD50 (mg kg-1) 1737 F4 Rat Moderate
Mammals - Short term dietary NOEL (mg kg-1) - - -
(ppm diet) - -
Birds - Acute LD50 (mg kg-1) - - -
Birds - Short term dietary (LC50/LD50) - - -
Fish - Acute 96 hour LC50 (mg l-1) 1.61 R4 Pimephales promelas Moderate
Fish - Chronic 21 day NOEC (mg l-1) - - -
Aquatic invertebrates - Acute 48 hour EC50 (mg l-1) 6.4 R4 Daphnia magna Moderate
Aquatic invertebrates - Chronic 21 day NOEC (mg l-1) - - -
Aquatic crustaceans - Acute 96 hour LC50 (mg l-1) - - -
Sediment dwelling organisms - Acute 96 hour LC50 (mg l-1) - - -
Sediment dwelling organisms - Chronic 28 day NOEC, static, water (mg l-1) - - -
Sediment dwelling organisms - Chronic 28 day NOEC, sediment (mg kg-1) - - -
Aquatic plants - Acute 7 day EC50, biomass (mg l-1) - - -
Non-target plants - - -
- - -
Algae - Acute 72 hour EC50, growth (mg l-1) 0.84 R3 Unknown species Moderate
Algae - Chronic 96 hour NOEC, growth (mg l-1) - - -
Honeybees (Apis spp.) Contact acute LD50 (worst case from 24 , 48 and 72 hour values - μg bee-1) - - -
Oral acute LD50 (worst case from 24 , 48 and 72 hour values - μg bee-1) - - -
Unknown mode acute LD50 (worst case from 24 , 48 and 72 hour values - μg bee-1) - - -
Bumblebees (Bombus spp.) Contact acute LD50 (worst case from 24 , 48 and 72 hour values - μg bee-1) - - -
-
Oral acute LD50 (worst case from 24 , 48 and 72 hour values - μg bee-1) - - -
-
Mason bees (Osmia spp.) Contact acute LD50 (worst case from 24 , 48 and 72 hour values - μg bee-1) - - -
Oral acute LD50 (worst case from 24 , 48 and 72 hour values - μg bee-1) - - -
Other pollinators (1) Acute LD50 (worst case from 24 , 48 and 72 hour values - μg insect-1) - - -
Mode of exposure -
Other pollinators (2) Acute LD50 (worst case from 24 , 48 and 72 hour values - μg insect-1) - - -
Mode of exposure -
Earthworms - Acute 14 day LC50 (mg kg-1) - - -
Earthworms - Chronic NOEC, reproduction (mg kg-1) - - -
Other soil macro-organisms Acute LC50 (mg kg-1) - - -
Chronic NOEC (mg kg-1) - - -
Other arthropod (1) LR50 g ha-1 - - -
% Effect - - -
Other arthropod (2) LR50 g ha-1 - - -
% Effect - - -
Soil micro-organisms - - -
Mesocosm study data NOEAEC mg l-1 - - -
NOEAEC mg l-1 - - -


HUMAN HEALTH AND PROTECTION

for ethinyl estradiol

General:
Property Click here for information on the parameters used to describe human health and protection issues Value Source/Quality Score/Other Information Click here for information on the primary data sources used to populate this database with human health and protection data Interpretation Click here for information on the way in which we interpret human health and protection data
Threshold of Toxicological Concern (Cramer Class) Click here for a note on the limitations of the Cramer class Intermediate (class II) - -
Mammals - Acute oral LD50 (mg kg-1) 1737 F4 Rat Moderate
Mammals - Dermal LD50 (mg kg-1 body weight) - - -
Mammals - Inhalation LC50 (mg l-1) - - -
Other Mammal toxicity endpoints Subcutaneous LD50 > 2000 mg kg-1 V3 Rat -
Intraperitoneal LD50 = 471 mg kg-1 V3 rat -
ADI - Acceptable Daily Intake (mg kg-1bw day-1) - - -
ARfD - Acute Reference Dose (mg kg-1bw day-1) - - -
AAOEL - Acute Acceptable Operator Exposure Level (mg kg-1 bw day-1) - - -
AOEL - Acceptable Operator Exposure Level - Systemic (mg kg-1bw day-1) - - -
Dermal penetration studies (%) - - -
Dangerous Substances Directive 76/464 - - -
Exposure Routes Public -
Occupational -
Elimination route and rate Metabolised in the liver and excreted in the faeces, urine and, in small amounts, in milk Q3 -

Health issues:
Carcinogen Genotoxic Endocrine disrupter Reproduction / development effects Cholinesterase inhibitor Neurotoxicant

A0; B0; C0; D0; E2

-

Respiratory tract irritant Skin irritant Skin sensitiser Eye irritant Phototoxicant

-

-

General human health issues May cause gastointestinal problems
May cause jaundice, hypertension, nasal congestion, headache, dizziness and fluid retention
Key: Genotoxicity
A: Chromosome aberration (EFSA database)
B: DNA damage/repair (EFSA database)
C: Gene mutation (EFSA database)
D: Genome mutation (EFSA database)
E: Unspecified genotoxicity type (miscellaneous data source)
0: No data
1: Positive
2: Mixed/ambiguous results
3: Negative
Key: Other
: Yes, known to cause a problem
: No, known not to cause a problem
: Possibly, status not identified
- : No data found

Handling issues:
Property Click here for information on the parameters used to describe substance handling issues Value Source/Quality Score/Other Information Click here for information on the primary data sources used to populate this database with data on handling issues Interpretation Click here for information on the way in which we interpret data on handling issues
General Click here for a description of the International Maritime Dangerous Goods (IMDG) codes May react vigorously with strong oxidizing and reducing agents
CLP classification 2013 -
EC Risk Classification Click here to view information omn the EU risk phrases Carcinogen category 2: R45
Xn - Harmful: R22
Xi - Irritant: R36
EC Safety Classification Click here to view information omn the EU safety phrases -
WHO Classification None - not a ppp - -
UN Number Not regulated
Waste disposal & packaging Click here for a description of UN packaging marks -


TRANSLATIONS

for ethinyl estradiol

Language Name
English ethinyl estradiol
French -
German Aethinyoestradiol
Danish -
Italian -
Spanish etinilestradiol
Greek -
Slovenian -
Polish -
Swedish -
Hungarian -
Dutch -

Record last updated: Tuesday 03 April 2018
Contact: aeru@herts.ac.uk