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; |
Isopropylbenzene
methyl cation
A
2-methylisopropylbenzene
B
m-cymene
C
4-methylisopropylbenzene
Conditions | Yield |
---|---|
Product distribution; Rate constant; with totally tritiated methyl cation, gas and liquid phases at r.t., solid phase at temp. of liquid N2; | A 11 % Chromat. B 39 % Chromat. C 50 % Chromat. |
propane
(2-methylphenyl)trimethylsilane
A
2-methylisopropylbenzene
B
m-cymene
C
4-methylisopropylbenzene
D
toluene
Conditions | Yield |
---|---|
With methanol; oxygen; triethylamine Product distribution; Mechanism; reaction of isomeric trimethylsilyltoluenes in gas phase; investigated by mass spectrometric and radiolytic techniques; |
1-methyl-2-(prop-1-en-2-yl)benzene
A
2-methylisopropylbenzene
B
o-1,4-menthadiene
C
o-3,6-menthadiene
D
o-1-menthene
Conditions | Yield |
---|---|
With hydrogen; calcium hexammine In hexane for 2h; Further byproducts given; | A 92.0 % Chromat. B 4.2 % Chromat. C 0.5 % Chromat. D 0.7 % Chromat. |
1-methyl-2-(prop-1-en-2-yl)benzene
A
2-methylisopropylbenzene
B
o-6-menthene
C
o-1-menthene
D
o-2-menthene
Conditions | Yield |
---|---|
With hydrogen; calcium hexammine for 24h; Further byproducts given; | A 79.0 % Chromat. B 5.3 % Chromat. C 9.1 % Chromat. D 4.8 % Chromat. |
With hydrogen; calcium hexammine for 24h; Further byproducts given; | A 79.0 % Chromat. B 5.3 % Chromat. C 9.1 % Chromat. D 4.2 % Chromat. |
1-methyl-2-(prop-1-en-2-yl)benzene
A
2-methylisopropylbenzene
B
o-1,4-menthadiene
C
o-3,6-menthadiene
D
toluene
Conditions | Yield |
---|---|
With hydrogen; calcium hexammine In hexane for 2h; Further byproducts given; | A 96 % Chromat. B 1.70 % Chromat. C 0.2 % Chromat. D 1.1 % Chromat. |
1-methyl-2-(prop-1-en-2-yl)benzene
A
2-methylisopropylbenzene
B
o-1,4-menthadiene
C
o-3,6-menthadiene
D
o-1-menthene
E
o-2-menthene
F
toluene
Conditions | Yield |
---|---|
With hydrogen; calcium hexammine In hexane for 2h; Product distribution; other mole ratio of hydrogen, other reaction time, other solvent; | A 96.0 % Chromat. B 1.7 % Chromat. C 0.2 % Chromat. D 0.2 % Chromat. E 0.1 % Chromat. F 1.1 % Chromat. |
o-1,4-menthadiene
2-methylisopropylbenzene
Conditions | Yield |
---|---|
With lithium 2-aminoethylamide at 100℃; for 1.5h; | 100 % Chromat. |
With calcium amide In hexane at 70℃; for 5h; Product distribution; var. react. time, Ca(NH2) to o-1,4-menthadiene 5:1; | 94 % Chromat. |
o-1,4-menthadiene
A
2-methylisopropylbenzene
B
o-6-menthene
C
o-1-menthene
D
o-2-menthene
cis-o-menthane
trans-o-menthane
Conditions | Yield |
---|---|
With zeolite NaX In octane at 120℃; for 12h; Product distribution; var. temperature, oth. zeolite; | A 77 % Chromat. B 2.7 % Chromat. C 10.5 % Chromat. D 3.4 % Chromat. E 2 % Chromat. F 0.5 % Chromat. |
o-1,4-menthadiene
A
2-methylisopropylbenzene
B
o-1,5-menthadieneo-1,5-menthadiene
C
o-1,3-menthadiene
D
1-isopropyl-5-ethylidenecyclopentane
Conditions | Yield |
---|---|
With potassium tert-butylate In dimethyl sulfoxide at 25℃; for 80h; Product distribution; var. react. time, oth. temperature; | A 24 % Chromat. B 34 % Chromat. C 25 % Chromat. D 17 % Chromat. |
o-1,4-menthadiene
A
2-methylisopropylbenzene
B
o-1,5-menthadiene
C
o-1,3-menthadiene
D
4-methyl-3-(1-methylethylidene)-1-cyclohexene
E
o-1(7),4-menthadiene
F
o-4,6-menthadiene
Conditions | Yield |
---|---|
With aluminosilicate diatomaceous earth In hexane at 270℃; for 0.00694444h; Product distribution; Mechanism; other time, other temperature; |
o-1,4-menthadiene
A
2-methylisopropylbenzene
B
1-isopropyl-5-ethylidenecyclopentane
Conditions | Yield |
---|---|
With silica gel In hexane at 350℃; for 0.014h; Product distribution; in a stream of nitrogen, oth. temperature; | A 52 % Chromat. B 39.5 % Chromat. |
2,5-dimethyl-4-isopropyl-3-isopropylidenehexa-1,4-diene
A
2-methylisopropylbenzene
B
para-xylene
Conditions | Yield |
---|---|
at 750℃; under 0.003 Torr; for 2.77778E-07h; Further byproducts given; |
(1α,6α)-6,9,9-Trimethyl-7,8-diazabicyclo<4.3.0>nona-2,5,7-trien
A
2-methylisopropylbenzene
B
1,7,7-Trimethyl-tropiliden
C
2,7,7-Trimethyl-cycloheptatrien
Conditions | Yield |
---|---|
In benzene at 28℃; other solvents C6D6 and CDCl3, other temperatures; also by photolysis; | A 3 % Chromat. B 3 % Chromat. C 94 % Chromat. |
In benzene-d6 at 39.2℃; Mechanism; Kinetics; Product distribution; energy data: ΔH(excit.), ΔS(excit.), ΔG(excit.); other solvents C6H6 or CDCl3, other temperatures; other educt (1α,6α)-6-Trideuteriomethyl-2,9,9-trimethyl-7,8-diazabicyclo<4.3.0>nona-2,4,7-trien; | A 3 % Chromat. B 3 % Chromat. C 94 % Chromat. |
3,3,3',3',5,5,5',5'-octamethyl-3,3',5,5'-tetrahydro-4,4'-bi(4H-pyrazolylidene)
A
2-methylisopropylbenzene
B
para-xylene
C
2,5-dimethyl-4-isopropyl-3-isopropylidenehexa-1,4-diene
D
1-isopropylidene-2,2,4,4,5,5-hexamethylspiropentane
E
2-(2,3-dimethylbut-1-en-3-yl)-1-isopropyl-3,3-dimethylcyclopropene
Conditions | Yield |
---|---|
at 400 - 800℃; for 2.77778E-07h; Product distribution; |
α-(o-tolyl)isobutyrophenone
A
1-methyl-2-(prop-1-en-2-yl)benzene
B
2-methylisopropylbenzene
C
benzaldehyde
Conditions | Yield |
---|---|
In benzene Quantum yield; Ambient temperature; Irradiation; |
trans-o-4-menthen-8-ol
A
2-methylisopropylbenzene
B
o-1,4-menthadiene
C
o-1-menthene
D
o-2(8),3-menthadiene
E
o-2(8),4-menthadiene
trans-o-4,8-menthadiene
Conditions | Yield |
---|---|
With potassium hydrogensulfate Product distribution; 1.)140 deg C, 1 h 2.)180 deg C, 15 min; |
trans-o-4-menthen-8-ol
A
2-methylisopropylbenzene
B
o-1,4-menthadiene
C
o-1-menthene
D
o-2(8),4-menthadiene
trans-o-4,8-menthadiene
Conditions | Yield |
---|---|
With acetic anhydride at 150℃; for 12h; Product distribution; sealed ampoule; |
methyl-3 dimethylcarbinol-4 cyclohexene trans
A
2-methylisopropylbenzene
B
o-1,4-menthadiene
C
o-2(8),5-menthadiene
D
o-1,5-menthadiene
trans-o-5,8-menthadiene
Conditions | Yield |
---|---|
With potassium hydrogensulfate Product distribution; 1.)140 deg C, 1 h 2.)180 deg C, 15 min; |
methyl-3 dimethylcarbinol-4 cyclohexene trans
A
2-methylisopropylbenzene
B
o-2(8),3-menthadiene
C
o-2(8),5-menthadiene
D
o-1,5-menthadiene
cis-o-5,8-menthadiene
trans-o-5,8-menthadiene
Conditions | Yield |
---|---|
With acetic anhydride at 150℃; for 12h; Product distribution; sealed ampoule; |
methyl-3 dimethylcarbinol-4 cyclohexene cis
A
2-methylisopropylbenzene
B
o-2(8),3-menthadiene
C
o-2(8),5-menthadiene
D
o-1,5-menthadiene
cis-o-5,8-menthadiene
trans-o-5,8-menthadiene
Conditions | Yield |
---|---|
With acetic anhydride at 150℃; for 12h; Product distribution; sealed ampoule; |
2-methylisopropylbenzene
A
2-isopropylbenzaldehyde
B
1-Isopropyl-2-nitromethyl-benzene
C
1-Isopropyl-2-nitrooxymethyl-benzene
Conditions | Yield |
---|---|
With ammonium cerium(IV) nitrate In acetonitrile at 17℃; for 0.666667h; Irradiation; | A 14% B 5% C 69% |
2-methylisopropylbenzene
1,1,1-trifluoroacetophenone
A
meso-1,1,1,4,4,4-Hexafluor-2,3-diphenylbutandiol(2,3)
B
C20H26
C
1,1,1-Trifluoro-3-(2-isopropyl-phenyl)-2-phenyl-propan-2-ol
Conditions | Yield |
---|---|
In acetonitrile at 30℃; | A 35% B 7% C 43% |
2-methylisopropylbenzene
A
meso-1,1,1,4,4,4-Hexafluor-2,3-diphenylbutandiol(2,3)
B
C20H26
C
1,1,1-Trifluoro-3-(2-isopropyl-phenyl)-2-phenyl-propan-2-ol
Conditions | Yield |
---|---|
With 2,2,2-Trifluoroacetophenone In acetonitrile at 30℃; | A 35% B 7% C 43% |
2-methylisopropylbenzene
A
2-isopropyl-5-nitrotoluene
B
2-isopropyl-3-nitrotoluene
C
2-isopropyl-4-nitrotoluene
D
2-isopropyl-6-nitrotoluene
Conditions | Yield |
---|---|
With nitric acid In sulfuric acid at 25℃; for 0.0833333h; Further byproducts given; | A 37.6% B 3.8% C 27.8% D 12.7% |
With nitric acid In sulfuric acid at 25℃; Further byproducts given; | A 35.3% B 3.8% C 27.1% D 12.8% |
With nitric acid In sulfuric acid at 25℃; Further byproducts given; | A 34.5% B 3.7% C 27.9% D 12.3% |
2-methylisopropylbenzene
A
1-methyl-2-nitrobenzene
B
2-isopropyl-5-nitrotoluene
C
2-isopropyl-3-nitrotoluene
D
2-isopropyl-4-nitrotoluene
Conditions | Yield |
---|---|
With nitric acid In sulfuric acid at 25℃; for 2h; Further byproducts given; | A 23% B 35.3% C 3.8% D 27.1% |
With nitric acid In sulfuric acid at 25℃; for 2h; Further byproducts given; | A 23% B 35.3% C 3.8% D 27.1% |
benzophenone
2-methylisopropylbenzene
A
tetraphenylethane-1,2-diol
B
2-Methyl-1,1-diphenyl-2-o-tolyl-propan-1-ol
C
2-(2-Isopropyl-phenyl)-1,1-diphenyl-ethanol
Conditions | Yield |
---|---|
In acetonitrile at 30℃; Irradiation; | A 35% B 4% C 13% |
2-methylisopropylbenzene
naphthalene-1,4-dicarbonitrile
A
4-(2-Isopropyl-benzyl)-naphthalene-1-carbonitrile
(1R,2R)-2-(2-Isopropyl-benzyl)-1,2-dihydro-naphthalene-1,4-dicarbonitrile
C22H20N2
Conditions | Yield |
---|---|
In acetonitrile at 17℃; for 20h; | A 15% B 23% C 27% |
Conditions | Yield |
---|---|
With 5% platinum on alumina at 300℃; | |
at 300℃; Leiten ueber Platin-Aluminiumoxyd-Kontakte; |
2-methylisopropylbenzene
A
pentabromotoluene
B
1,2,3-tribromo-5-isopropyl-4-methyl-benzene
Conditions | Yield |
---|---|
With sulfuric acid; bromine; iodine; iron at 0℃; Lichtausschluss; |
2-methylisopropylbenzene
1-isopropyl-2-methylcyclohexane
Conditions | Yield |
---|---|
With hydrogen; nickel at 170 - 180℃; |
Conditions | Yield |
---|---|
With chlorosulfonic acid; chloroform und anschliessend mit wss.NH3; |
2-methylisopropylbenzene
2-(o-tolyl)propyl-2-hydroperoxide
Conditions | Yield |
---|---|
With oxygen; lead acetate |
2-methylisopropylbenzene
4-bromo-1-isopropyl-2-methyl-benzene
Conditions | Yield |
---|---|
With bromine; iodine; iron at 0℃; Lichtausschluss; |
2-methylisopropylbenzene
1,2-dibromo-4-isopropyl-5-methyl-benzene
Conditions | Yield |
---|---|
With bromine; iodine; iron at 0℃; Lichtausschluss; |
2-methylisopropylbenzene
1,2,3,4-tetrabromo-5-isopropyl-6-methyl-benzene
Conditions | Yield |
---|---|
With bromine; iodine; iron at 0 - 50℃; Lichtausschluss; |
Conditions | Yield |
---|---|
at 410℃; Leiten ueber aktivierte Bleicherde; |
2,4,4-trimethyl-1-pentene
2-methylisopropylbenzene
6-Tert-Butyl-1,1,3,4-tetramethyl-3-neopentyl indan
Conditions | Yield |
---|---|
With sulfuric acid at 5℃; |
2-methylisopropylbenzene
o-1,4-menthadiene
Conditions | Yield |
---|---|
With calcium hexammine In hexane |
Conditions | Yield |
---|---|
With nitronium tetrafluoborate In sulfolane |
2-methylisopropylbenzene
o-6-menthene
Conditions | Yield |
---|---|
With calcium hexammine In hexane |
2-methylisopropylbenzene
o-3,6-menthadiene
Conditions | Yield |
---|---|
With calcium hexammine In hexane |
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 .
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