Name | β-estradiol |
Synonyms | Estradiol B-estradiol β-estradiol Beta-Estradiol 17beta-Estradiol 17beta-estradiol Dihydrofolliculin dihydrofolliculin BETA-ESTRADIOL-16,16,17-D3 17BETA-ESTRADIOL-16,16,17-D3 1,3,5-Estratriene-3,17beta-diol 1,3,5-estratriene-3,17beta-diol 3,17beta-Dihydroxy-1,3,5(10)-estratriene 3,17beta-dihydroxy-1,3,5(10)-estratriene (8alpha,9beta,13alpha,14beta,17alpha)-estra-1,3,5(10)-triene-3,17-diol |
CAS | 50-28-2 |
EINECS | 200-023-8 |
InChI | InChI=1/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m0/s1 |
InChIKey | VOXZDWNPVJITMN-ZBRFXRBCSA-N |
Molecular Formula | C18H24O2 |
Molar Mass | 272.39 |
Density | 1.0708 (rough estimate) |
Melting Point | 178-179°C(lit.) |
Boling Point | 355.44°C (rough estimate) |
Specific Rotation(α) | D25 +76 to +83° (dioxane) |
Flash Point | 2℃ |
Water Solubility | Soluble in dimethyl sulfoxide, ethanol , water, phosphate buffer saline, dimethyl formamide, acetone, dioxane and alkali hydroxides. Slightly soluble in vegetable oils. |
Solubility | Dissolve in dioxane, acetone, slightly soluble in ethanol, insoluble in water |
Vapor Presure | 9.82E-09mmHg at 25°C |
Appearance | White crystalline powder |
Color | White to off-white |
Merck | 14,3703 |
BRN | 1914275 |
pKa | pKa 10.71±0.02(H2O(0.1% p-dioxane) t=25±0.1 I=0.03(KCl))(Approximate) |
Storage Condition | room temp |
Stability | Stable. Incompatible with strong oxidizing agents. |
Refractive Index | 80.4 ° (C=1, Dioxane |
MDL | MFCD00003693 |
Physical and Chemical Properties | Melting Point: 173°C |
Risk Codes | R60 - May impair fertility R61 - May cause harm to the unborn child R45 - May cause cancer R63 - Possible risk of harm to the unborn child R64 - May cause harm to breast-fed babies R40 - Limited evidence of a carcinogenic effect R36 - Irritating to the eyes R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R11 - Highly Flammable R48 - Danger of serious damage to health by prolonged exposure |
Safety Description | S53 - Avoid exposure - obtain special instructions before use. S22 - Do not breathe dust. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37 - Wear suitable protective clothing and gloves. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S16 - Keep away from sources of ignition. S36 - Wear suitable protective clothing. S20 - When using, do not eat or drink. |
UN IDs | 2811 |
WGK Germany | 3 |
RTECS | KG2975000 |
FLUKA BRAND F CODES | 8-10 |
HS Code | 29372390 |
Hazard Class | 6.1 |
Packing Group | III |
Toxicity | LD50 subcutaneous in rat: > 300mg/kg |
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