54350-48-0
Product Name:
Etretinate
Formula:
C23H30O3
Synonyms:
Ethyl all-trans-9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethyl-2,4,6,8-nonatetraenoate;Etretinate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Crystals |
|---|---|
| Melting Point | 104-105 °C |
| Vapor Pressure | 2.2X10-7 mm Hg @ 25 °C /Estimated/ |
| LogP | log Kow = 8.43 /Estimated/ |
| Henry's Law Constant | Henry's Law constant: 4.0X10-5 atm-cu m/mol @ 25 °C /Estimated/ |
| Other Experimental Properties | Hydroxyl radical reaction rate constant: 2.6X10-10 cu cm/molecule-sec @ 25 °C /Estimated/ |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. 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. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 354.5 g/mol |
|---|---|
| XLogP3 | 6.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 8 |
| Exact Mass | 354.21949481 g/mol |
| Monoisotopic Mass | 354.21949481 g/mol |
| Topological Polar Surface Area | 35.5 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 568 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Etretinate is a retinoid, an enoate ester and an ethyl ester. It has a role as a keratolytic drug.