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625-60-5

625-60-5 structural image
Product Name: Ethanethioic acid S-ethyl ester
Formula: C4H8OS
Synonyms: S-Ethyl acetothioate;S-Ethyl ethanethioate;S-Ethyl thioacetate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Solubility insoluble in water; soluble in alcohol; miscible in diethyl ether
Density 0.979 (20°)
Refractive Index 1.456-1.468
Kovats Retention Index 749

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H225:Flammable liquids
H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H318:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
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.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

COMPUTED DESCRIPTORS

Molecular Weight 104.17 g/mol
XLogP3 1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 104.02958605 g/mol
Monoisotopic Mass 104.02958605 g/mol
Topological Polar Surface Area 42.4 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 51.5
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

S-Ethyl thioacetate is a thiocarboxylic ester.