CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | WHITE POWDER. |
|---|---|
| Melting Point | 36 °C |
| Flash Point | 133 °C |
| Solubility | Solubility in water, g/100ml at 20 °C: 0.28-2.11 (pH-dependent) |
| Density | Relative density (water = 1): 1.3 |
| Vapor Pressure | Vapor pressure, Pa at 20 °C: 0.003 |
| LogP | 2.44 (pH-dependent) |
| Autoignition Temperature | 355 °C |
| Collision Cross Section | 152.92 Ų [M+H]+ [CCS Type: TW] |
| Kovats Retention Index | 2027 |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H317:Sensitisation, Skin H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P272:Contaminated work clothing should not be allowed out of the workplace. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P333+P313:IF SKIN irritation or rash occurs: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 252.26 g/mol |
|---|---|
| XLogP3 | 0.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 252.09977361 g/mol |
| Monoisotopic Mass | 252.09977361 g/mol |
| Topological Polar Surface Area | 80.7 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 411 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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
Trinexapac-ethyl is an ethyl ester resulting from the formal condensation of the carboxy group of trinexapac with ethanol. It has a role as a xenobiotic, an environmental contaminant, a plant growth regulator, an agrochemical, a pro-agent and a gibberellin biosynthesis inhibitor. It is a member of cyclohexanones, a beta-hydroxy ketone, an enol, an ethyl ester and a member of cyclopropanes. It is functionally related to a trinexapac.