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Cas Database

Name	2-Isopropyltoluene	EINECS	208-426-0
CAS No.	527-84-4	Density	0.877 g/mL at 25 °C(lit.)
PSA	0.00000	LogP	3.11840
Solubility	N/A	Melting Point	?72-?71 °C(lit.)
Formula	C10H14	Boiling Point	178 °C(lit.)
Molecular Weight	134.221	Flash Point	50°C
Transport Information	UN 2046 3	Appearance	N/A
Safety	Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating vapors.	Risk Codes	10
Molecular Structure		Hazard Symbols	N/A
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	Article Data	94

2-Isopropyltoluene Synthetic route

: 80041-89-0
isopropylboronic acid

: 95-46-5
2-methylphenyl bromide

: 527-84-4
2-methylisopropylbenzene

Conditions

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%

: 31689-42-6
2-methyl-1-(1-methylethyl)cyclohexa-2,5-diene-1-carboxylic acid

: 527-84-4
2-methylisopropylbenzene

Conditions

Conditions	Yield
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

Conditions	Yield
With oxygen; 5,15,10,20-tetraphenylporphyrin In chloroform at -30℃; for 24h; Irradiation;	A 28% B 68%

: 4755-33-3, 4795-86-2, 4863-59-6, 6876-13-7, 10281-53-5, 33626-25-4, 112456-46-9, 112456-47-0, 473-55-2
pinane

: 527-84-4
2-methylisopropylbenzene

Conditions

Conditions	Yield
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

Conditions	Yield
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

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

: 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

Conditions	Yield
at 40℃; folgende Wasserdampfdestillation bei 150-160grad;
With sulfuric acid at 40℃; anschliessend Destillation mit Wasserdampf bei 150-160grad;

: 187737-37-7
propene

: 109-63-7
trifluoroborane diethyl ether

: 108-88-3
toluene

: 71-43-2
benzene

: 527-84-4
2-methylisopropylbenzene

Conditions

Conditions	Yield
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

Conditions	Yield
With sodium

: 917-64-6
methyl magnesium iodide

: 87-24-1
ethyl 2-methylbenzoate

: 527-84-4
2-methylisopropylbenzene

Conditions

Conditions	Yield
Multistep reaction;

2-Isopropyltoluene Chemical Properties

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 .

2-Isopropyltoluene 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.

2-Isopropyltoluene Consensus Reports

Reported in EPA TSCA Inventory.

2-Isopropyltoluene 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

2-Isopropyltoluene Specification

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

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