Product Name

  • Name

    O-CYMENE

  • EINECS 208-426-0
  • CAS No. 527-84-4
  • Article Data94
  • CAS DataBase
  • Density 0.877 g/mL at 25 °C(lit.)
  • Solubility
  • 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
  • Safety Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits acrid smoke and irritating vapors.
  • Risk Codes 10
  • Molecular Structure Molecular Structure of 527-84-4 (O-CYMENE)
  • Hazard Symbols
  • 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
  • PSA 0.00000
  • LogP 3.11840

Synthetic route

isopropylboronic acid
80041-89-0

isopropylboronic acid

2-methylphenyl bromide
95-46-5

2-methylphenyl bromide

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

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

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

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

A

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

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

(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;
1-methyl-2-(prop-1-en-2-yl)benzene
7399-49-7

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

2-methylisopropylbenzene
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
2-(2-methylphenyl)propan-2-ol
7572-79-4

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

2-methylisopropylbenzene
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
toluene-4-sulfonic acid
104-15-4

toluene-4-sulfonic acid

isopropyl alcohol
67-63-0

isopropyl alcohol

A

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

B

1-methyl-2,5-diisopropylbenzene
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;
propene
187737-37-7

propene

trifluoroborane diethyl ether
109-63-7

trifluoroborane diethyl ether

toluene
108-88-3

toluene

benzene
71-43-2

benzene

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

Conditions
ConditionsYield
at 5℃; und 65grad;
at 40℃; Kinetics;
1-bromo-2-isopropylbenzene
7073-94-1

1-bromo-2-isopropylbenzene

methyl iodide
74-88-4

methyl iodide

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

Conditions
ConditionsYield
With sodium
methyl magnesium iodide
917-64-6

methyl magnesium iodide

ethyl 2-methylbenzoate
87-24-1

ethyl 2-methylbenzoate

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

Conditions
ConditionsYield
Multistep reaction;
Isopropylbenzene
98-82-8

Isopropylbenzene

methyl cation
14531-53-4

methyl cation

A

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

B

m-cymene
535-77-3

m-cymene

C

4-methylisopropylbenzene
99-87-6

4-methylisopropylbenzene

Conditions
ConditionsYield
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
74-98-6

propane

(2-methylphenyl)trimethylsilane
7450-03-5

(2-methylphenyl)trimethylsilane

A

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

B

m-cymene
535-77-3

m-cymene

C

4-methylisopropylbenzene
99-87-6

4-methylisopropylbenzene

D

toluene
108-88-3

toluene

Conditions
ConditionsYield
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
7399-49-7

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

A

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

B

o-1,4-menthadiene
60264-83-7

o-1,4-menthadiene

C

o-3,6-menthadiene
60264-85-9

o-3,6-menthadiene

D

o-1-menthene
15582-48-6

o-1-menthene

Conditions
ConditionsYield
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
7399-49-7

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

A

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

B

o-6-menthene
15582-50-0

o-6-menthene

C

o-1-menthene
15582-48-6

o-1-menthene

D

o-2-menthene
15582-49-7

o-2-menthene

Conditions
ConditionsYield
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
7399-49-7

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

A

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

B

o-1,4-menthadiene
60264-83-7

o-1,4-menthadiene

C

o-3,6-menthadiene
60264-85-9

o-3,6-menthadiene

D

toluene
108-88-3

toluene

Conditions
ConditionsYield
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
7399-49-7

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

A

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

B

o-1,4-menthadiene
60264-83-7

o-1,4-menthadiene

C

o-3,6-menthadiene
60264-85-9

o-3,6-menthadiene

D

o-1-menthene
15582-48-6

o-1-menthene

E

o-2-menthene
15582-49-7

o-2-menthene

F

toluene
108-88-3

toluene

Conditions
ConditionsYield
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
60264-83-7

o-1,4-menthadiene

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

Conditions
ConditionsYield
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
60264-83-7

o-1,4-menthadiene

A

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

B

o-6-menthene
15582-50-0

o-6-menthene

C

o-1-menthene
15582-48-6

o-1-menthene

D

o-2-menthene
15582-49-7

o-2-menthene

Conditions
ConditionsYield
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
60264-83-7

o-1,4-menthadiene

A

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

B

o-1,5-menthadiene
527-83-3

o-1,5-menthadiene

C

o-1,3-menthadiene
72188-50-2

o-1,3-menthadiene

D

1-isopropyl-5-ethylidenecyclopentane
71889-93-5

1-isopropyl-5-ethylidenecyclopentane

Conditions
ConditionsYield
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
60264-83-7

o-1,4-menthadiene

A

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

B

o-1,5-menthadiene
527-83-3

o-1,5-menthadiene

C

o-1,3-menthadiene
72188-50-2

o-1,3-menthadiene

D

4-methyl-3-(1-methylethylidene)-1-cyclohexene
99805-90-0

4-methyl-3-(1-methylethylidene)-1-cyclohexene

E

o-1(7),4-menthadiene
99805-89-7

o-1(7),4-menthadiene

F

o-4,6-menthadiene
99805-91-1

o-4,6-menthadiene

Conditions
ConditionsYield
With aluminosilicate diatomaceous earth In hexane at 270℃; for 0.00694444h; Product distribution; Mechanism; other time, other temperature;
o-1,4-menthadiene
60264-83-7

o-1,4-menthadiene

A

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

B

1-isopropyl-5-ethylidenecyclopentane
71889-93-5

1-isopropyl-5-ethylidenecyclopentane

Conditions
ConditionsYield
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
54580-22-2

2,5-dimethyl-4-isopropyl-3-isopropylidenehexa-1,4-diene

A

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

B

para-xylene
106-42-3

para-xylene

Conditions
ConditionsYield
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
126949-89-1

(1α,6α)-6,9,9-Trimethyl-7,8-diazabicyclo<4.3.0>nona-2,5,7-trien

A

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

B

1,7,7-Trimethyl-tropiliden
2228-74-2

1,7,7-Trimethyl-tropiliden

C

2,7,7-Trimethyl-cycloheptatrien
2228-73-1

2,7,7-Trimethyl-cycloheptatrien

Conditions
ConditionsYield
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)
69856-67-3

3,3,3',3',5,5,5',5'-octamethyl-3,3',5,5'-tetrahydro-4,4'-bi(4H-pyrazolylidene)

A

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

B

para-xylene
106-42-3

para-xylene

C

2,5-dimethyl-4-isopropyl-3-isopropylidenehexa-1,4-diene
54580-22-2

2,5-dimethyl-4-isopropyl-3-isopropylidenehexa-1,4-diene

D

1-isopropylidene-2,2,4,4,5,5-hexamethylspiropentane
94526-06-4

1-isopropylidene-2,2,4,4,5,5-hexamethylspiropentane

E

2-(2,3-dimethylbut-1-en-3-yl)-1-isopropyl-3,3-dimethylcyclopropene
94526-08-6

2-(2,3-dimethylbut-1-en-3-yl)-1-isopropyl-3,3-dimethylcyclopropene

Conditions
ConditionsYield
at 400 - 800℃; for 2.77778E-07h; Product distribution;
α-(o-tolyl)isobutyrophenone
136667-03-3

α-(o-tolyl)isobutyrophenone

A

1-methyl-2-(prop-1-en-2-yl)benzene
7399-49-7

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

B

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

C

benzaldehyde
100-52-7

benzaldehyde

Conditions
ConditionsYield
In benzene Quantum yield; Ambient temperature; Irradiation;
trans-o-4-menthen-8-ol
99805-92-2

trans-o-4-menthen-8-ol

A

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

B

o-1,4-menthadiene
60264-83-7

o-1,4-menthadiene

C

o-1-menthene
15582-48-6

o-1-menthene

D

o-2(8),3-menthadiene
13427-84-4

o-2(8),3-menthadiene

E

o-2(8),4-menthadiene
99805-93-3

o-2(8),4-menthadiene

trans-o-4,8-menthadiene
99805-94-4

trans-o-4,8-menthadiene

Conditions
ConditionsYield
With potassium hydrogensulfate Product distribution; 1.)140 deg C, 1 h 2.)180 deg C, 15 min;
trans-o-4-menthen-8-ol
99805-92-2

trans-o-4-menthen-8-ol

A

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

B

o-1,4-menthadiene
60264-83-7

o-1,4-menthadiene

C

o-1-menthene
15582-48-6

o-1-menthene

D

o-2(8),4-menthadiene
99805-93-3

o-2(8),4-menthadiene

trans-o-4,8-menthadiene
99805-94-4

trans-o-4,8-menthadiene

Conditions
ConditionsYield
With acetic anhydride at 150℃; for 12h; Product distribution; sealed ampoule;
methyl-3 dimethylcarbinol-4 cyclohexene trans
77804-19-4, 77849-06-0

methyl-3 dimethylcarbinol-4 cyclohexene trans

A

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

B

o-1,4-menthadiene
60264-83-7

o-1,4-menthadiene

C

o-2(8),5-menthadiene
54356-60-4

o-2(8),5-menthadiene

D

o-1,5-menthadiene
527-83-3

o-1,5-menthadiene

trans-o-5,8-menthadiene
54356-60-4, 99805-95-5, 99805-96-6

trans-o-5,8-menthadiene

Conditions
ConditionsYield
With potassium hydrogensulfate Product distribution; 1.)140 deg C, 1 h 2.)180 deg C, 15 min;
methyl-3 dimethylcarbinol-4 cyclohexene trans
77804-19-4, 77849-06-0

methyl-3 dimethylcarbinol-4 cyclohexene trans

A

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

B

o-2(8),3-menthadiene
13427-84-4

o-2(8),3-menthadiene

C

o-2(8),5-menthadiene
54356-60-4

o-2(8),5-menthadiene

D

o-1,5-menthadiene
527-83-3

o-1,5-menthadiene

trans-o-5,8-menthadiene
54356-60-4, 99805-95-5, 99805-96-6

trans-o-5,8-menthadiene

Conditions
ConditionsYield
With acetic anhydride at 150℃; for 12h; Product distribution; sealed ampoule;
methyl-3 dimethylcarbinol-4 cyclohexene cis
77804-19-4, 77849-06-0

methyl-3 dimethylcarbinol-4 cyclohexene cis

A

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

B

o-2(8),3-menthadiene
13427-84-4

o-2(8),3-menthadiene

C

o-2(8),5-menthadiene
54356-60-4

o-2(8),5-menthadiene

D

o-1,5-menthadiene
527-83-3

o-1,5-menthadiene

trans-o-5,8-menthadiene
54356-60-4, 99805-95-5, 99805-96-6

trans-o-5,8-menthadiene

Conditions
ConditionsYield
With acetic anhydride at 150℃; for 12h; Product distribution; sealed ampoule;
2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

A

2-isopropylbenzaldehyde
6502-22-3

2-isopropylbenzaldehyde

B

1-Isopropyl-2-nitromethyl-benzene
128260-56-0

1-Isopropyl-2-nitromethyl-benzene

C

1-Isopropyl-2-nitrooxymethyl-benzene
128260-55-9

1-Isopropyl-2-nitrooxymethyl-benzene

Conditions
ConditionsYield
With ammonium cerium(IV) nitrate In acetonitrile at 17℃; for 0.666667h; Irradiation;A 14%
B 5%
C 69%
2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

1,1,1-trifluoroacetophenone
434-45-7

1,1,1-trifluoroacetophenone

A

meso-1,1,1,4,4,4-Hexafluor-2,3-diphenylbutandiol(2,3)
1547-69-9

meso-1,1,1,4,4,4-Hexafluor-2,3-diphenylbutandiol(2,3)

B

C20H26
118893-11-1

C20H26

C

1,1,1-Trifluoro-3-(2-isopropyl-phenyl)-2-phenyl-propan-2-ol
118893-12-2

1,1,1-Trifluoro-3-(2-isopropyl-phenyl)-2-phenyl-propan-2-ol

Conditions
ConditionsYield
In acetonitrile at 30℃;A 35%
B 7%
C 43%
2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

A

meso-1,1,1,4,4,4-Hexafluor-2,3-diphenylbutandiol(2,3)
1547-69-9

meso-1,1,1,4,4,4-Hexafluor-2,3-diphenylbutandiol(2,3)

B

C20H26
118893-11-1

C20H26

C

1,1,1-Trifluoro-3-(2-isopropyl-phenyl)-2-phenyl-propan-2-ol
118893-12-2

1,1,1-Trifluoro-3-(2-isopropyl-phenyl)-2-phenyl-propan-2-ol

Conditions
ConditionsYield
With 2,2,2-Trifluoroacetophenone In acetonitrile at 30℃;A 35%
B 7%
C 43%
2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

A

2-isopropyl-5-nitrotoluene
4571-14-6

2-isopropyl-5-nitrotoluene

B

2-isopropyl-3-nitrotoluene
175540-88-2

2-isopropyl-3-nitrotoluene

C

2-isopropyl-4-nitrotoluene
103096-00-0

2-isopropyl-4-nitrotoluene

D

2-isopropyl-6-nitrotoluene
175540-89-3

2-isopropyl-6-nitrotoluene

Conditions
ConditionsYield
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
527-84-4

2-methylisopropylbenzene

A

1-methyl-2-nitrobenzene
88-72-2

1-methyl-2-nitrobenzene

B

2-isopropyl-5-nitrotoluene
4571-14-6

2-isopropyl-5-nitrotoluene

C

2-isopropyl-3-nitrotoluene
175540-88-2

2-isopropyl-3-nitrotoluene

D

2-isopropyl-4-nitrotoluene
103096-00-0

2-isopropyl-4-nitrotoluene

Conditions
ConditionsYield
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
119-61-9

benzophenone

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

A

tetraphenylethane-1,2-diol
464-72-2

tetraphenylethane-1,2-diol

B

2-Methyl-1,1-diphenyl-2-o-tolyl-propan-1-ol
118893-14-4

2-Methyl-1,1-diphenyl-2-o-tolyl-propan-1-ol

C

2-(2-Isopropyl-phenyl)-1,1-diphenyl-ethanol
118893-13-3

2-(2-Isopropyl-phenyl)-1,1-diphenyl-ethanol

Conditions
ConditionsYield
In acetonitrile at 30℃; Irradiation;A 35%
B 4%
C 13%
2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

naphthalene-1,4-dicarbonitrile
3029-30-9

naphthalene-1,4-dicarbonitrile

A

4-(2-Isopropyl-benzyl)-naphthalene-1-carbonitrile
118893-08-6

4-(2-Isopropyl-benzyl)-naphthalene-1-carbonitrile

(1R,2R)-2-(2-Isopropyl-benzyl)-1,2-dihydro-naphthalene-1,4-dicarbonitrile
118893-09-7

(1R,2R)-2-(2-Isopropyl-benzyl)-1,2-dihydro-naphthalene-1,4-dicarbonitrile

C22H20N2
118893-10-0

C22H20N2

Conditions
ConditionsYield
In acetonitrile at 17℃; for 20h;A 15%
B 23%
C 27%
2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

naphthalene
91-20-3

naphthalene

Conditions
ConditionsYield
With 5% platinum on alumina at 300℃;
at 300℃; Leiten ueber Platin-Aluminiumoxyd-Kontakte;
2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

A

pentabromotoluene
87-83-2

pentabromotoluene

B

1,2,3-tribromo-5-isopropyl-4-methyl-benzene
854403-37-5

1,2,3-tribromo-5-isopropyl-4-methyl-benzene

Conditions
ConditionsYield
With sulfuric acid; bromine; iodine; iron at 0℃; Lichtausschluss;
2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

1-isopropyl-2-methylcyclohexane
16580-23-7

1-isopropyl-2-methylcyclohexane

Conditions
ConditionsYield
With hydrogen; nickel at 170 - 180℃;
2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

3-isopropyl-4-methyl-benzenesulfonic acid amide
4533-97-5

3-isopropyl-4-methyl-benzenesulfonic acid amide

Conditions
ConditionsYield
With chlorosulfonic acid; chloroform und anschliessend mit wss.NH3;
2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

2-(o-tolyl)propyl-2-hydroperoxide
13387-56-9

2-(o-tolyl)propyl-2-hydroperoxide

Conditions
ConditionsYield
With oxygen; lead acetate
2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

4-bromo-1-isopropyl-2-methyl-benzene
17821-06-6

4-bromo-1-isopropyl-2-methyl-benzene

Conditions
ConditionsYield
With bromine; iodine; iron at 0℃; Lichtausschluss;
2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

1,2-dibromo-4-isopropyl-5-methyl-benzene
854403-39-7

1,2-dibromo-4-isopropyl-5-methyl-benzene

Conditions
ConditionsYield
With bromine; iodine; iron at 0℃; Lichtausschluss;
2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

1,2,3,4-tetrabromo-5-isopropyl-6-methyl-benzene
854403-38-6

1,2,3,4-tetrabromo-5-isopropyl-6-methyl-benzene

Conditions
ConditionsYield
With bromine; iodine; iron at 0 - 50℃; Lichtausschluss;
2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

A

propene
187737-37-7

propene

B

toluene
108-88-3

toluene

Conditions
ConditionsYield
at 410℃; Leiten ueber aktivierte Bleicherde;
2,4,4-trimethyl-1-pentene
107-39-1

2,4,4-trimethyl-1-pentene

2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

6-Tert-Butyl-1,1,3,4-tetramethyl-3-neopentyl indan
29577-23-9

6-Tert-Butyl-1,1,3,4-tetramethyl-3-neopentyl indan

Conditions
ConditionsYield
With sulfuric acid at 5℃;
2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

o-1,4-menthadiene
60264-83-7

o-1,4-menthadiene

Conditions
ConditionsYield
With calcium hexammine In hexane
2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

2-isopropyl-5-nitrotoluene
4571-14-6

2-isopropyl-5-nitrotoluene

Conditions
ConditionsYield
With nitronium tetrafluoborate In sulfolane
2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

o-6-menthene
15582-50-0

o-6-menthene

Conditions
ConditionsYield
With calcium hexammine In hexane
2-methylisopropylbenzene
527-84-4

2-methylisopropylbenzene

o-3,6-menthadiene
60264-85-9

o-3,6-menthadiene

Conditions
ConditionsYield
With calcium hexammine In hexane

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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