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67715-80-4

67715-80-4 structural image
Product Name: 2-Methyl-4-propyl-1,3-oxathiane
Formula: C8H16OS
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility insoluble in water; miscible in alcohol and oil
Density 0.970-0.982
Refractive Index 1.475-1.485

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02
GHS Hazard Statements H226:Flammable liquids
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P240:Ground/bond container and receiving equipment.
P241:Use explosion-proof electrical/ventilating/lighting/…/equipment.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

COMPUTED DESCRIPTORS

Molecular Weight 160.28 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 160.09218630 g/mol
Monoisotopic Mass 160.09218630 g/mol
Topological Polar Surface Area 34.5 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 95.3
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-methyl-4-propyl-1,3-oxathiane is an organosulfur heterocyclic compound and an oxacycle that is 1,3-oxathiane substituted by a methyl group at position 2 and a propyl group at position 4 respectively. It has a role as a metabolite. It is an organosulfur heterocyclic compound and an oxacycle.