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CAS No.: | 527-84-4 |
---|---|
Name: | O-CYMENE |
Article Data: | 94 |
Molecular Structure: | |
Formula: | C10H14 |
Molecular Weight: | 134.221 |
Synonyms: | o-Cymene(8CI); 1-Isopropyl-2-methylbenzene; 1-Methyl-2-(1-methylethyl)benzene;1-Methyl-2-isopropylbenzene; 2-Isopropyltoluene; NSC 73976; o-Cymol;o-Isopropyltoluene |
EINECS: | 208-426-0 |
Density: | 0.877 g/mL at 25 °C(lit.) |
Melting Point: | ?72-?71 °C(lit.) |
Boiling Point: | 178 °C(lit.) |
Flash Point: | 50°C |
Risk Codes: | 10 |
Safety: | Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating vapors. |
Transport Information: | UN 2046 3 |
PSA: | 0.00000 |
LogP: | 3.11840 |
Conditions | Yield |
---|---|
With potassium phosphate monohydrate; bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; C20H34O3P2 In toluene at 100℃; Suzuki-Miyaura Coupling; Inert atmosphere; | 99% |
2-methyl-1-(1-methylethyl)cyclohexa-2,5-diene-1-carboxylic acid
2-methylisopropylbenzene
Conditions | Yield |
---|---|
With chlorosulfonic acid In dichloromethane at 0℃; for 0.166667h; | 98% |
With chlorosulfonic acid In dichloromethane at 0℃; for 0.166667h; | 98% |
2-methyl-1-(1-methylethyl)cyclohexa-2,5-diene-1-carboxylic acid
A
2-methylisopropylbenzene
Conditions | Yield |
---|---|
With oxygen; 5,15,10,20-tetraphenylporphyrin In chloroform at -30℃; for 24h; Irradiation; | A 28% B 68% |
2-methylisopropylbenzene
Conditions | Yield |
---|---|
at 240 - 300℃; Leiten ueber Platin-Katalysatoren; |
Conditions | Yield |
---|---|
With nickel at 90℃; under 88260.9 Torr; Hydrogenation; | |
With nickel kieselguhr at 40℃; under 44130.5 Torr; Hydrogenation; | |
With ethanol; sodium |
Conditions | Yield |
---|---|
With copper oxide-chromium oxide at 100℃; under 88260.9 Torr; Hydrogenation; | |
Multi-step reaction with 2 steps 1: acid 2: hydrogen / 10percent palladium on charcoal / methanol View Scheme | |
Multi-step reaction with 2 steps 1: Destillation 2: Raney nickel / 90 °C / 88260.9 Torr / Hydrogenation View Scheme | |
Multi-step reaction with 2 steps 1: 350 °C / beim Leiten ueber ThO2 2: hydrogen; nickel substance / 200 - 220 °C View Scheme | |
Multi-step reaction with 2 steps 1: potassium pyrosulfate / durch Destillation 2: colloid/al palladium / Hydrogenation View Scheme |
toluene-4-sulfonic acid
isopropyl alcohol
A
2-methylisopropylbenzene
B
1-methyl-2,5-diisopropylbenzene
Conditions | Yield |
---|---|
at 40℃; folgende Wasserdampfdestillation bei 150-160grad; | |
With sulfuric acid at 40℃; anschliessend Destillation mit Wasserdampf bei 150-160grad; |
propene
trifluoroborane diethyl ether
toluene
benzene
2-methylisopropylbenzene
Conditions | Yield |
---|---|
at 5℃; und 65grad; | |
at 40℃; Kinetics; |
Conditions | Yield |
---|---|
With sodium |
Conditions | Yield |
---|---|
Multistep reaction; |
IUPAC Name: 1-Methyl-2-propan-2-ylbenzene
Molecular Formula: C10H14
Molecular Weight: 134.24g/mol
EINECS: 208-426-0
Density: 0.877 g/mL at 25 °C(lit.)
Melting Point: 72-71 °C(lit.)
Boiling Point: 178.1 °C at 760 mmHg
Flash Point: 50.6 °C
liansport Information: UN 2046 3
Freely Rotating Bonds: 1
Polar Surface Area: 0 Å2
Index of Refraction: 1.492
Molar Refractivity: 45.26 cm3
Molar Volume: 155.7 cm3
Polarizability: 17.94 ×10-24 cm3
Surface Tension: 28.5 dyne/cm
Enthalpy of Vaporization: 39.74 kJ/mol
Vapour Pressure: 1.36 mmHg at 25°C
The Cas Register Number of 2-Isopropyltoluene is 527-84-4.The chemical synonyms of 2-Isopropyltoluene (CAS NO.527-84-4) are O-Cymene ; 1-(1-Methylethyl)-2-methylbenzene ; 1-Methyl,2-n-isopropylbenzene ; 1-Methyl-2-(1-methylethyl)-benzen ; 1-Methyl-2-(1-methylethyl)benzene ; 1-Methyl-2-(1-methylethyl)-benzene ; 1-Methyl-2-isopropylbenzol ; Benzene, 1-methyl-2-(1-methylethyl) .The molecular structure of 2-Isopropyltoluene (CAS NO.527-84-4) is .
1. | orl-rat LD50:2130 mg/kg | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 29 (3)(1985),49. | ||
2. | orl-mus LD50:2024 mg/kg | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 29 (3)(1985),49. | ||
3. | ihl-mus LC50:10,300 mg/m3 | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 29 (3)(1985),49. | ||
4. | ipr-mus LD50:1315 mg/kg | GTPZAB Gigiena Truda i Professionalnye Zabolevaniia. Labor Hygiene and Occupational Diseases. 29 (3)(1985),49. |
Reported in EPA TSCA Inventory.
Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating vapors.
Risk Statements:10
R10:Flammable.
Safety Statements:23-24/25
S23:Do not breathe vapour.
S24/25:Avoid contact with skin and eyes.
HazardClass:3.2
Downstream products of 2-Isopropyltoluene (CAS NO.527-84-4) is Cresol .