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141-79-7

141-79-7 structural image
Product Name: Mesityl oxide
Formula: C6H10O
Synonyms: 4-Methyl-3-penten-2-one;Isopropylideneacetone, 4-Methyl-3-penten-2-one;Mesityl oxide
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Mesityl oxide appears as a colorless, oily liquid with a pungent honey-like odor. Flash point 87 °F. Less dense than water and slightly soluble in water. Vapors heavier than air. Used in paint removers, as a solvent for plastics, and as an insect repellent.
Color/Form Oily, colorless to light-yellow liquid
Odor ... spearmint ...
Taste OILY TASTE
Boiling Point 266 °F at 760 mmHg (USCG, 1999)
Melting Point -51 °F (USCG, 1999)
Flash Point 73 °F (USCG, 1999)
Solubility 3 % (NIOSH, 2023)
Density 0.853 at 68 °F (USCG, 1999) - Less dense than water; will float
Vapor Density 3.4 (Air = 1)
Vapor Pressure 9 mmHg (NIOSH, 2023)
LogP 1.7
Autoignition Temperature 652 °F (USCG, 1999)
Decomposition When heated to decomposition it emits acrid smoke and irritating fumes.
Viscosity 0.0060 cP at 20 °C
Heat of Combustion -14,400 BTU/LB= -8,000 CAL/G= -330X10+5 JOULES/KG
Heat of Vaporization 157 BTU/LB= 87 CAL/G= 3.7X10+5 JOULES/KG
Surface Tension 22.9 DYNES/CM= 0.0029 NEWTONS/M @ 20 °C
Ionization Potential 9.08 eV
Odor Threshold Odor Threshold Low: 0.01 [mmHg] Odor Threshold High: 12.0 [mmHg] Detection odor threshold from AIHA (mean = 0.017 ppm)
Refractive Index Index of refraction: 1.4425 at 22 °C/D
Relative Evaporation Rate 8.4 (ETHER= 1)
Kovats Retention Index 778 782 778.4 783 780 783 787
Other Experimental Properties May darken upon standing
Chemical Classes Other Classes -> Aliphatic Ketones, Other

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H226:Flammable liquids
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H331:Acute toxicity,inhalation
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.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
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.

COMPUTED DESCRIPTORS

Molecular Weight 98.14 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 98.073164938 g/mol
Monoisotopic Mass 98.073164938 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 96.7
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

Mesityl oxide appears as a colorless, oily liquid with a pungent honey-like odor. Flash point 87 °F. Less dense than water and slightly soluble in water. Vapors heavier than air. Used in paint removers, as a solvent for plastics, and as an insect repellent.

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