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5271-38-5

5271-38-5 structural image
Product Name: 2-(METHYLTHIO)ETHANOL
Formula: C3H8OS
Synonyms: 2-(Methylmercapto)ethanol;2-Hydroxyethyl methyl sulfide
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description colourless to pale yellow liquid; powerful meat-like aroma
Boiling Point 169.00 to 171.00 °C. @ 760.00 mm Hg
Solubility Insoluble in water; soluble in non-polar solvents
Density 1.055-1.065 (20°)
Refractive Index 1.490-1.498
Kovats Retention Index 810 813

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H227:Flammable liquids
H302:Acute toxicity,oral
H332:Acute toxicity,inhalation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

COMPUTED DESCRIPTORS

Molecular Weight 92.16 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 92.02958605 g/mol
Monoisotopic Mass 92.02958605 g/mol
Topological Polar Surface Area 45.5 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 16.4
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

2-methylthioethanol is a primary alcohol that is the S-methyl derivative of mercaptoethanol. It is found as a volatile component in Cucumis melo Var. cantalupensis. It has a role as a xenobiotic metabolite and a plant metabolite. It is an aliphatic sulfide and a primary alcohol. It is functionally related to a mercaptoethanol.

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