50-27-1
Product Name:
Estriol
Formula:
C18H24O3
Synonyms:
1,3,5(10)-Estratriene-3,16α,17β-triol;16α-Hydroxyestradiol;3,16α,17β-Trihydroxy-1,3,5(10)-estratriene;Estriol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Leaflets from alcohol |
| Odor | Odorless |
| Melting Point | 82-86 |
| Solubility | Slightly soluble in ethyl ether, benzene, trifluoroacetic acid; very soluble in pyridine |
| Density | 1.27 g/cu cm at 25 °C |
| LogP | 2.45 |
| Optical Rotation | Specific optical rotation at D (sodium) line: +58 deg, +/-5 deg (0.04 g in 1 mL dioxane) |
| Decomposition | When heated to decomposition it emits acrid smoke and irritating fumes. |
| Other Experimental Properties | During heating on the microscope heating stage, rearrangement of the crystal structure takes place at 270 °C and 275 °C (rate of heating 4 °C/min, Kofler microscope heating stage). |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08 |
| GHS Hazard Statements |
H351:Carcinogenicity H362:Reproductive toxicity, effects on or via lactation |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P263:Avoid contact during pregnancy/while nursing. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 288.4 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 288.17254462 g/mol |
| Monoisotopic Mass | 288.17254462 g/mol |
| Topological Polar Surface Area | 60.7 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 411 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Estriol is a 3-hydroxy steroid that is estra-1,3,5(10)-trien-3-ol substituted by additional hydroxy groups at positions 16 and 17 (16alpha,17beta-stereoisomer). It has a role as an estrogen, a human metabolite, a human xenobiotic metabolite and a mouse metabolite. It is a 3-hydroxy steroid, a 16alpha-hydroxy steroid and a 17beta-hydroxy steroid. It derives from a hydride of an estrane.