56-53-1
Product Name:
Diethylstilbestrol
Formula:
C18H20O2
Synonyms:
(E)-3,4-Bis(4-hydroxyphenyl)-3-hexene;DES;Desmin;Stilbestrol
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Diethylstilbestrol is an odorless tasteless white crystalline powder. (NTP, 1992) |
|---|---|
| Color/Form | White crystalline powder |
| Odor | Odorless |
| Melting Point | 336 to 342 °F (NTP, 1992) |
| Solubility | less than 1 mg/mL at 68 °F (NTP, 1992) |
| LogP | 5.07 |
| LogS | -4.35 |
| Decomposition | When heated to decomposition it emits acrid smoke and fumes. |
| Refractive Index | INDEX OF REFRACTION: 1.594 (ALPHA), 1.611 (BETA), 1.73 (GAMMA) |
| Collision Cross Section | 175.64 Ų [M-H]- |
| Kovats Retention Index | 2298 |
| Other Experimental Properties | CIS-ISOMER TENDS TO REVERT TO TRANS-FORM |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H350:Carcinogenicity H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 268.3 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 268.146329876 g/mol |
| Monoisotopic Mass | 268.146329876 g/mol |
| Topological Polar Surface Area | 40.5 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 286 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Diethylstilbestrol is an odorless tasteless white crystalline powder. (NTP, 1992)