4-Methyl-3-penten-2-one

CAS No. 141-79-7

Formula: C6H10O
Basic Info

Mesityl oxide is a α,β-Unsaturated ketone with the formula CH3C(O)CH=C(CH3)2. This compound is a colorless, volatile liquid with a strong cat urine odor.

Formula
C6H10O
Molecular Weight
98.143
Exact Mass
98.0732
LogP
1.5416
PSA
17.07
Synonyms

Mesityl Oxide

4-methylpent-3-en-2-one

3-Penten-2-one, 4-methyl-

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Properties
Appearance & Physical State
COLOURLESS VISCOUS LIQUID, WITH CHARACTERISTIC ODOUR. DARKENS ON STANDING
Density
0.854
Boiling Point
129ºC
Melting Point
-53ºC
Flash Point
28ºC
Refractive Index
1.442-1.446
Storage Condition
Flammables area
Vapor Pressure
8.76mmHg at 25°C
Safety Info
RTECS
SB4200000
Safety Statements
S25
WGK Germany
1
Risk Statements
R10; R20/21/22
HS Code
2914190090
RIDADR
UN 1229
Hazard Class
3
Packing Group
III
Hazard Codes
Spectrum
NMR Spectrum 1H NMR : 90 MHz in CDCl3
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IR Spectrum IR : liquid film
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Mass Spectrum Mass spectrum (electron ionization)
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UV Spectrum UV/Visible spectrum
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Toxicity
SKIN/EYE IRRITATION DATA
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Type of Test
Standard Draize test
Exposure Route
Administration into the eye
Species Observed
Human
Dose/Duration
25 ppm/15M
Toxic Effects
--
Reference
Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 28,262,1946
ACUTE TOXICITY DATA
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Type of Test
TCLo - Lowest published toxic concentration
Exposure Route
Inhalation
Species Observed
Human
Dose/Duration
25 ppm
Toxic Effects
Sense Organs and Special Senses (Eye)--conjunctive irritation
Reference
Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 28,262,1946
ACUTE TOXICITY DATA
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Type of Test
LD50 - Lethal dose, 50 percent kill
Exposure Route
Oral
Species Observed
Rodent - rat
Dose/Duration
1120 mg/kg
Toxic Effects
Details of toxic effects not reported other than lethal dose value--
Reference
Documentation of the Threshold Limit Values and Biological Exposure Indices, 5th ed., Cincinnati, OH, American Conference of Governmental Industrial Hygienists, Inc., 1986 Volume(issue)/page/year: 6,896,1991

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