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2889-58-9

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Basic Information
CAS No.: 2889-58-9
Name: PARA-TMI
Molecular Structure:
Molecular Structure of 2889-58-9 (PARA-TMI)
Formula: C13H15 N O
Molecular Weight: 201.29
Synonyms: Isocyanicacid, p-isopropenyl-a,a-dimethylbenzyl ester (7CI,8CI);4-Isopropenyl-a,a-dimethylbenzyl isocyanate;p-Isopropenyl-a,a-dimethylbenzyl isocyanate;p-Isopropenyldimethylbenzylisocyanate
Density: 0.92g/cm3
Boiling Point: 275.6°Cat760mmHg
Flash Point: 84°C
Safety: Low toxicity by ingestion and skin contact. When heated to decomposition it emits toxic vapors of NOx.
PSA: 29.43000
LogP: 3.29060
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Chemistry

IUPAC Name :1-(2-Isocyanatopropan-2-yl)-4-prop-1-en-2-ylbenzene
Synonyms: 1-(1-Isocyanato-1-methylethyl)-4-(1-methylethenyl)benzene ; alpha,alpha-Dimethyl-para-isopropenyl benzyl isocyanate ; Benzene, 1-(1-isocyanato-1-methylethyl)-4-(1-methylethenyl)- ; Isocyanic acid, p-isopropenyl-alpha,alpha-dimethylbenzyl ester
CAS NO:2889-58-9
Molecular Formula of 1-(1-Isocyanato-1-methylethyl)-4-(1-methylethenyl)benzene (CAS NO.2889-58-9) :C13H15NO
Molecular Weight of 1-(1-Isocyanato-1-methylethyl)-4-(1-methylethenyl)benzene (CAS NO.2889-58-9) :201.2643
Molecular Structure of 1-(1-Isocyanato-1-methylethyl)-4-(1-methylethenyl)benzene (CAS NO.2889-58-9) :    
                                                 
Index of Refraction: 1.497
Surface Tension: 30.7 dyne/cm
Density: 0.92 g/cm3
Flash Point: 84 °C
Enthalpy of Vaporization: 51.41 kJ/mol
Boiling Point: 275.6 °C at 760 mmHg
Vapour Pressure: 0.00504 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD skin > 2gm/kg (2000mg/kg)   Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 159, 1992.
rat LD50 oral 4400mg/kg (4400mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"		 Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 159, 1992.

Safety Profile

Low toxicity by ingestion and skin contact. When heated to decomposition it emits toxic vapors of NOx.
RIDADR 2206
HazardClass 6.1(a)
PackingGroup II