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29973-13-5

29973-13-5 structural image
Product Name: ETHIOFENCARB
Formula: C11H15NO2S
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colorless solid; mp = 33.4 deg C; [HSDB] Yellow solid; mp = 31-33 deg C; [MSDSonline]
Color/Form Colourless crystals.
Odor Mercaptan-like odor.
Boiling Point Decomposes on distillation
Melting Point 33.4 °C
Flash Point 123 °C
Solubility In dichloromethane, isopropanol and toluene >200, hexane 5-10 (all in g/l, 20 °C).
Density 1.231 (20 °C)
Vapor Pressure 0.00000705 [mmHg]
LogP log Kow = 2.04
Stability/Shelf Life Stable in neutral and acidic media, but hydrolysed in alkaline solution. ...In aqueous solution, photodegradation in sunlight is very rapid.
Decomposition Decomposes on distillation. ...In isopropanol/water (1:1), DT50 (37-40 °C) 330 days (pH 2), 450 hr (pH 7), 5 min (pH 11.4).
Collision Cross Section 151.94 Ų [M+Na]+
Kovats Retention Index 1780 1788 1824 1809.3 1780
Other Experimental Properties Yellow oil /Technical/
Chemical Classes Pesticides -> Carbamate Insecticides

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
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.
P391:Collect spillage. Hazardous to the aquatic environment
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 225.31 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 225.08234989 g/mol
Monoisotopic Mass 225.08234989 g/mol
Topological Polar Surface Area 63.6 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 199
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

Ethiofencarb is a carbamate ester. It has a role as a carbamate insecticide, an EC 3.1.1.7 (acetylcholinesterase) inhibitor and an agrochemical. It is functionally related to a methylcarbamic acid and a 2-[(ethylsulfanyl)methyl]phenol.