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1534-08-3

1534-08-3 structural image
Product Name: S-METHYL THIOACETATE
Formula: C3H6OS
Synonyms: 1-Methyl sulfanyl ethanone
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Boiling Point 95.00 to 96.00 °C. @ 760.00 mm Hg
Solubility soluble in oil and alcohol
Density 0.817-0.825
Refractive Index 1.460-1.468
Kovats Retention Index 688 675 683 671 671 675 689.6

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H225:Flammable liquids
H319:Serious eye damage/eye irritation
H336:Specific target organ toxicity,single exposure; Narcotic effects
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P242:Use only non-sparking tools.
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 90.15 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 90.01393598 g/mol
Monoisotopic Mass 90.01393598 g/mol
Topological Polar Surface Area 42.4 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 42.2
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-methyl thioacetate is a thioester. It is functionally related to an ethanethioic S-acid.