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20662-84-4

20662-84-4 structural image
Product Name: 2,4,5-TRIMETHYLOXAZOLE
Formula: C6H9NO
Synonyms: Trimethyloxazole
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Yellowish liquid; Boiled beef aroma
Boiling Point 133.00 to 134.00 °C. @ 760.00 mm Hg
Solubility Insoluble in water
Density 0.956-0.964
Refractive Index 1.438-1.446
Kovats Retention Index 829 828 826 830 843 843 843 843 829 822 823 827 824

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Flame
Flammables
GHS02

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H226:Flammable liquids
H319: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.
P240:Ground/bond container and receiving equipment.
P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
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.
P370+P378:In case of fire: Use … for extinction.
P405:Store locked up.
P403+P235:Store in a well-ventilated place. Keep cool.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 111.14 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 111.068413911 g/mol
Monoisotopic Mass 111.068413911 g/mol
Topological Polar Surface Area 26 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 84.6
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

Trimethyloxazole is an oxazole.