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2008-41-5

2008-41-5 structural image
Product Name: Butylate
Formula: C11H23NOS
Synonyms: S-Ethyl N,N-diisobutylthiocarbamate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear liquid; Insoluble in water (45 mg/L at 25 deg C); [Merck Index] Technical product is amber liquid; [HSDB] Colorless liquid; Insoluble in water; [MSDSonline]
Color/Form Colorless liquid
Odor Aromatic odor
Boiling Point 137.5-138 °C at 21 mm Hg
Flash Point 240 °F (116 °C) - closed cup
Solubility In water, 45 mg/L at 22 °C
Density 0.9402 at 25 °C
Vapor Pressure 0.0013 [mmHg]
LogP log Kow = 4.15
Stability/Shelf Life Stable under recommended storage conditions.
Decomposition When heated to decomposition it emits very toxic fumes of /nitrogen oxides and sulfur oxides/.
Corrosivity Non-corrosive
Refractive Index Index of refraction: 1.4702 at 30 °C/D
Kovats Retention Index 1411 1405.9 1459.6 1438.6
Other Experimental Properties Amber liquid /Technical butylate/
Chemical Classes Pesticides -> Herbicides, Thiocarbamate

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H332:Acute toxicity,inhalation
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.

COMPUTED DESCRIPTORS

Molecular Weight 217.37 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 6
Exact Mass 217.15003553 g/mol
Monoisotopic Mass 217.15003553 g/mol
Topological Polar Surface Area 45.6 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 159
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

Butylate is a tertiary amine.