283594-90-1
Product Name:
SPIROMESIFEN
Formula:
C23H30O4
Synonyms:
3-Mesityl-2-oxo-1-oxaspiro[4.4]non-3-en-4-yl) 3,3-dimethylbutyrate
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | White solid |
|---|---|
| Melting Point | 98 °C |
| Solubility | In n-heptane 23, isopropanol 115, n-octanol 60, polyethylene glycol 22, DMSO 55, xylene, 1,2-dichloromethane, acetone, ethyl acetate, and acetonitrile all >250 (all in g/L, 20 °C) |
| Vapor Pressure | 1.5X10-4 mm Hg at 20 °C |
| LogP | log Kow = 4.55 (pH 2 and 7.5) |
| Collision Cross Section | 203.33 Ų [M+Na]+ |
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 | 370.5 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 370.21440943 g/mol |
| Monoisotopic Mass | 370.21440943 g/mol |
| Topological Polar Surface Area | 52.6 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 621 |
| 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
Spiromesifen is a butenolide that is but-2-en-4-olide bearing a 2,4,6-trimethylphenyl group at position 3, a 3,3-dimethylbutyryloxy group at position 4 and a spiro-fused cyclopentyl ring at position 5. It has a role as an insecticide. It is functionally related to a 1,3,5-trimethylbenzene and a 3,3-dimethylbutyric acid.