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527-84-4

Basic Information
CAS No.: 527-84-4
Name: O-CYMENE
Article Data: 94
Molecular Structure:
Molecular Structure of 527-84-4 (O-CYMENE)
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
Synthetic route
80041-89-0

isopropylboronic acid

95-46-5

2-methylphenyl bromide

527-84-4

2-methylisopropylbenzene

Conditions
ConditionsYield
With potassium phosphate monohydrate; bis[chloro(1,2,3-trihapto-allylbenzene)palladium(II)]; C20H34O3P2 In toluene at 100℃; Suzuki-Miyaura Coupling; Inert atmosphere;99%
31689-42-6

2-methyl-1-(1-methylethyl)cyclohexa-2,5-diene-1-carboxylic acid

527-84-4

2-methylisopropylbenzene

Conditions
ConditionsYield
With chlorosulfonic acid In dichloromethane at 0℃; for 0.166667h;98%
With chlorosulfonic acid In dichloromethane at 0℃; for 0.166667h;98%
31689-42-6

2-methyl-1-(1-methylethyl)cyclohexa-2,5-diene-1-carboxylic acid

A

527-84-4

2-methylisopropylbenzene

(1S,5R)-5-Hydroperoxy-1-isopropyl-6-methylene-cyclohex-2-enecarboxylic acid

Conditions
ConditionsYield
With oxygen; 5,15,10,20-tetraphenylporphyrin In chloroform at -30℃; for 24h; Irradiation;A 28%
B 68%
Conditions
ConditionsYield
at 240 - 300℃; Leiten ueber Platin-Katalysatoren;
7399-49-7

1-methyl-2-(prop-1-en-2-yl)benzene

527-84-4

2-methylisopropylbenzene

Conditions
ConditionsYield
With nickel at 90℃; under 88260.9 Torr; Hydrogenation;
With nickel kieselguhr at 40℃; under 44130.5 Torr; Hydrogenation;
With ethanol; sodium
7572-79-4

2-(2-methylphenyl)propan-2-ol

527-84-4

2-methylisopropylbenzene

Conditions
ConditionsYield
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
104-15-4

toluene-4-sulfonic acid

67-63-0

isopropyl alcohol

A

527-84-4

2-methylisopropylbenzene

B

17821-02-2

1-methyl-2,5-diisopropylbenzene

Conditions
ConditionsYield
at 40℃; folgende Wasserdampfdestillation bei 150-160grad;
With sulfuric acid at 40℃; anschliessend Destillation mit Wasserdampf bei 150-160grad;
109-63-7

trifluoroborane diethyl ether

108-88-3

toluene

71-43-2

benzene

527-84-4

2-methylisopropylbenzene

Conditions
ConditionsYield
at 5℃; und 65grad;
at 40℃; Kinetics;
7073-94-1

1-bromo-2-isopropylbenzene

74-88-4

methyl iodide

527-84-4

2-methylisopropylbenzene

Conditions
ConditionsYield
With sodium
917-64-6

methyl magnesium iodide

87-24-1

ethyl 2-methylbenzoate

527-84-4

2-methylisopropylbenzene

Conditions
ConditionsYield
Multistep reaction;
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  • Benzene,1-methyl-2-(1-methylethyl)-  CAS NO.527-84-4

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Chemistry

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 .

Toxicity Data With Reference

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.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

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

Specification

 Downstream products of 2-Isopropyltoluene (CAS NO.527-84-4) is  Cresol .