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13532-18-8

13532-18-8 structural image
Product Name: Methyl 3-methylthiopropionate
Formula: C5H10O2S
Synonyms: Methyl 3-(methylmercapto)propionate
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Boiling Point 74.00 to 75.00 °C. @ 13.00 mm Hg
Solubility very slightly
Density 1.069-1.078
Refractive Index 1.462-1.468
Kovats Retention Index 992.4 1001 1000 992

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02
GHS Hazard Statements H227:Flammable liquids
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P370+P378:In case of fire: Use … for extinction.
P403+P235:Store in a well-ventilated place. Keep cool.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 134.20 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 134.04015073 g/mol
Monoisotopic Mass 134.04015073 g/mol
Topological Polar Surface Area 51.6 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 72.8
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

Methyl 3-(methylthio)propanoate is a carboxylic ester.