CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White solid; [Merck Index] Colorless solid; [MSDSonline] |
|---|---|
| Color/Form | White crystaline solid |
| Odor | Mild, aromatic odor |
| Melting Point | 70-72 °C |
| Flash Point | Non-combustibile |
| Solubility | >600 mg/L in acetone, dichloromethane, dimethyl sulfoxide, ethyl acetate; 300-600 g/L in toluene and p-xylene; 120-150 g/L in methanol; 60-76 g/L in ethanol; 25-30 g/L in isopropanol; 4.67 g/L in hexane |
| Density | 1.29 at 20 °C |
| Vapor Pressure | 0.0000049 [mmHg] |
| LogP | log Kow = 2.7 |
| Stability/Shelf Life | Relatively stable in water. |
| Ionization Efficiency | Positive |
| Collision Cross Section | 162.79 Ų [M+H]+ 162.73 Ų [M+Na]+ |
| Kovats Retention Index | 1910 1924 1918.6 |
| Chemical Classes | Pesticides -> Herbicides, Other |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
COMPUTED DESCRIPTORS
| Molecular Weight | 286.35 g/mol |
|---|---|
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 286.08749484 g/mol |
| Monoisotopic Mass | 286.08749484 g/mol |
| Topological Polar Surface Area | 70.2 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 411 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate is a methanesulfonate ester that is methanesulfonic acid in which the hydrogen of the hydroxy group has been replaced by a 2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl group. It is an ether, a methanesulfonate ester and a member of 1-benzofurans.