Isopropylcyclohexane supplier

Name
(1-Methylethyl)cyclohexane
EINECS 211-792-4
CAS No. 696-29-7
Article Data71
CAS DataBase
Density 0.796 g/cm³
Solubility
Melting Point
Formula C₉H₁₈
Boiling Point 151.9 °C at 760 mmHg
Molecular Weight 126.242
Flash Point 35.6 °C
Transport Information UN 3295 3/PG 3
Appearance colorless clear liquid
Safety 62
Risk Codes 10-65
Molecular Structure
Hazard Symbols Xn
Synonyms Cyclohexane,isopropyl- (6CI,8CI);(1-Methylethyl)cyclohexane;Isopropylcyclohexane;NSC73963;
PSA 0.00000
LogP 3.22270

Synthetic route

: 618-45-1
3-isopropylhydroxybenzene

: 696-29-7
(1-methylethyl)-cyclohexane

Conditions

Conditions	Yield
With hydrogen In dodecane at 200℃; under 15001.5 Torr; for 2h;	99.9%

: 99-89-8
4-Isopropylphenol

: 696-29-7
(1-methylethyl)-cyclohexane

Conditions

Conditions	Yield
With hydrogen In dodecane at 200℃; under 15001.5 Torr; for 2h;	98.2%

: 4132-48-3
1-methoxy-4-(1-methylethyl)benzene

A: 98-82-8
Isopropylbenzene

B: 696-29-7
(1-methylethyl)-cyclohexane

Conditions

Conditions	Yield
With hydrogen In water at 270℃; under 16501.7 Torr; for 3h;	A 90% B 6%

: 98-82-8
Isopropylbenzene

: 696-29-7
(1-methylethyl)-cyclohexane

Conditions

Conditions	Yield
With hydrogen In water at 60℃; under 37503.8 Torr; for 6h; Autoclave;	89.4%
With Ti8O8(14+)6C8H4O4(2-)4O(2-)3.3Li(1+)0.7Co(2+)0.7C4H8O0.7H(1-); hydrogen In neat (no solvent) at 120℃; under 37503.8 Torr; for 18h;	85%
With nickel(II) oxide; hydrogen; palladium In hexane at 130℃; under 37503.8 Torr; for 24h;	84%

: 99-89-8
4-Isopropylphenol

A: 98-82-8
Isopropylbenzene

B: 696-29-7
(1-methylethyl)-cyclohexane

Conditions

Conditions	Yield
With hydrogen In water at 270℃; under 13501.4 Torr; for 2h;	A 83% B 8%

: 108-23-6
isopropyl chloroformate

: 110-83-8
cyclohexene

: 696-29-7
(1-methylethyl)-cyclohexane

Conditions

Conditions	Yield
With triethylsilane In dichloromethane at 20℃; for 1h; Alkylation; Friedel-Crafts alkylation;	82%
With triethylsilane; triethyl aluminum sesquichloride In dichloromethane at -15 - 20℃; for 2h;	82%

: 4132-79-0
4-isopropyl-phenetole

A: 98-82-8
Isopropylbenzene

B: 696-29-7
(1-methylethyl)-cyclohexane

Conditions

Conditions	Yield
With hydrogen In water at 270℃; under 16501.7 Torr; for 3h;	A 82% B 5%

: 618-45-1
3-isopropylhydroxybenzene

A: 98-82-8
Isopropylbenzene

B: 696-29-7
(1-methylethyl)-cyclohexane

Conditions

Conditions	Yield
With hydrogen In water at 270℃; under 13501.4 Torr; for 2h;	A 81% B 10%

: 88-69-7
2-(1-methylethyl)phenol

A: 98-82-8
Isopropylbenzene

B: 696-29-7
(1-methylethyl)-cyclohexane

Conditions

Conditions	Yield
With hydrogen In water at 270℃; under 13501.4 Torr; for 2h;	A 70% B 14%

: 28530-37-2
1-butoxy-4-isopropylbenzene

A: 98-82-8
Isopropylbenzene

B: 696-29-7
(1-methylethyl)-cyclohexane

Conditions

Conditions	Yield
With hydrogen In water at 270℃; under 16501.7 Torr; for 3h;	A 70% B 5%

: 3552-01-0
1-isopropyl-cyclohexanol

: 696-29-7
(1-methylethyl)-cyclohexane

Conditions

Conditions	Yield
With phosphorus pentaoxide; diethyl ether Hydrieren des Reaktionsprodukts in Gegenwart von Platinmohr;

: 865157-00-2
(α-bromo-isopropyl)-cyclohexane

: 696-29-7
(1-methylethyl)-cyclohexane

: 35776-64-8
5-(1-methylethyl)cyclohexa-1,3-diene

: 696-29-7
(1-methylethyl)-cyclohexane

Conditions

Conditions	Yield
Hydrogenation;

: 98-83-9
isopropenylbenzene

: 696-29-7
(1-methylethyl)-cyclohexane

Conditions

Conditions	Yield
With hydrogen; nickel at 180 - 190℃;
With N-hexadecyl-N-(2-hydroxyethyl)-N,N-dimethylammonium bromide; water; hydrogen; rhodium at 20℃; for 9.2h; Catalytic hydrogenation;
With hydrogen; Rh(0)*[N,N-Me2-N-cetyl-N-(2-hydroxyethyl)ammonium chloride] In water at 20℃; under 760.051 Torr; for 5.4h; Product distribution; Further Variations:; Catalysts; reusing run;	100 % Chromat.
With RhCl[2,6-bis{1-(4-trifluoromethylphenyl)iminoethyl}pyridine]; potassium tert-butylate; hydrogen In isopropyl alcohol at 60℃; under 760.051 Torr; for 7.58333h;	53 %Chromat.

: 111-65-9
octane

A: 696-29-7
(1-methylethyl)-cyclohexane

B: 103-65-1
Propylbenzene

C: 108-88-3
toluene

D: 71-43-2
benzene

Conditions

Conditions	Yield
With zeolite TsVK at 450℃; Product distribution;

...Expand

: 1460-19-1
7,7-dimethylbicyclo[4.1.0]heptane

A: 696-29-7
(1-methylethyl)-cyclohexane

B: 13151-49-0
1,1-Dimethylcycloheptan

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In cyclohexane at 50℃; under 110326 Torr; for 75h; Product distribution; the formed products are detected with gas chromatography;	A 91 % Chromat. B 3 % Chromat.

: 4292-04-0
1-isopropylcyclohexene

: 696-29-7
(1-methylethyl)-cyclohexane

Conditions

Conditions	Yield
With hydrogen; palladium In diethyl ether at 25℃;	99 % Chromat.

: 34266-29-0
N′-(cyclohexylmethylene)-4-methylbenzenesulfonohydrazide

: 917-54-4
methyllithium

: 74-88-4
methyl iodide

: 696-29-7
(1-methylethyl)-cyclohexane

Conditions

Conditions	Yield
With copper(l) iodide; methylmagnesium bromide ether, 2 h, 5 equiv. Li reagent; Yield given. Multistep reaction;

...Expand

: 590-66-9
1,1-dimethylcyclohexane

: 696-29-7
isopropylcyclohexane radical cation

A: 696-29-7
(1-methylethyl)-cyclohexane

B: 590-66-9
1,1-dimethylcyclohexane radical cation

Conditions

Conditions	Yield
at 61.9℃; Equilibrium constant; Irradiation;

...Expand

: 7058-01-7
sec-butylcyclohexane

: 696-29-7
isopropylcyclohexane radical cation

A: 696-29-7
(1-methylethyl)-cyclohexane

B: sec-butyl cyclohexane cation

Conditions

Conditions	Yield
Equilibrium constant; Irradiation;

...Expand

: 493-02-7
trans-Decalin

: 696-29-7
isopropylcyclohexane radical cation

A: 696-29-7
(1-methylethyl)-cyclohexane

B: trans-decalin cation

Conditions

Conditions	Yield
Equilibrium constant; Irradiation;

...Expand

: 187737-37-7
propene

: 120-12-7
anthracene

: 110-83-8
cyclohexene

sodium: sodium

A: 98-82-8
Isopropylbenzene

B: 696-29-7
(1-methylethyl)-cyclohexane

C: 1678-92-8
propylcyclohexane

D: 103-65-1
Propylbenzene

Conditions

Conditions	Yield
at 290℃; under 128714 Torr; Hydrieren des Reaktionsprodukts an Platin;
at 287℃; under 128714 Torr; Hydrieren des Reaktionsprodukts;

...Expand

: 98-82-8
Isopropylbenzene

: 64-19-7
acetic acid

platinum oxide: platinum oxide

: 696-29-7
(1-methylethyl)-cyclohexane

Conditions

Conditions	Yield
Hydrogenation;

...Expand

: 98-82-8
Isopropylbenzene

: 64-19-7
acetic acid

platinum: platinum

: 696-29-7
(1-methylethyl)-cyclohexane

Conditions

Conditions	Yield
Kinetics; Hydrogenation;

...Expand

: 98-83-9
isopropenylbenzene

hydrogen: hydrogen

very effective nickel: very effective nickel

: 696-29-7
(1-methylethyl)-cyclohexane

Conditions

Conditions	Yield
at 180 - 190℃;

...Expand

: 99-89-8
4-Isopropylphenol

: 64-19-7
acetic acid

platinum: platinum

A: 696-29-7
(1-methylethyl)-cyclohexane

B 1-isopropyl-cyclohexanol-(4): 1-isopropyl-cyclohexanol-(4)

Conditions

Conditions	Yield
Hydrogenation;

...Expand

11-bromo-1-isopropyl-cyclohexane: 11-bromo-1-isopropyl-cyclohexane

: 696-29-7
(1-methylethyl)-cyclohexane

Conditions

Conditions	Yield
With acetic acid; zinc dann Reduktion mit Natrium und Alkohol;

1-isopropyl-cyclohexene-(1): 1-isopropyl-cyclohexene-(1)

: 696-29-7
(1-methylethyl)-cyclohexane

Conditions

Conditions	Yield
With acetic acid; platinum under 2206.5 Torr; Hydrogenation;
With platinum at 160℃; Hydrogenation;

colophonium: colophonium

: 696-29-7
(1-methylethyl)-cyclohexane

Conditions

Conditions	Yield
bei der trocknen Destillation;

: 67-56-1
methanol

: 696-29-7
(1-methylethyl)-cyclohexane

A: 41417-68-9
(1-Isopropylcyclohexyl)methanol

B: 107-21-1
ethylene glycol

Conditions

Conditions	Yield
With mercury for 48h; Heating; Irradiation;	A 52% B n/a

...Expand

: 696-29-7
(1-methylethyl)-cyclohexane

A: 423-02-9
perfluoro isopropyl cyclohexane

B: 132868-01-0
1H-heptadecafluoro-i-propylcyclohexane

Conditions

Conditions	Yield
With fluorine; sodium fluoride for 120h; starting temperature: -110 deg C, end temperature: 50 deg C;	A 34.35% B 8.34%

: 181525-34-8
2,3-dihydro-1-(4-piperidinyl)-1H-indole

: 696-29-7
(1-methylethyl)-cyclohexane

A: cis-1-(1-(-4-isopropylcyclohexyl)piperidin-4-yl)indoline

B: C22H34N2

Conditions

Conditions	Yield
Stage #1: 2,3-dihydro-1-(4-piperidinyl)-1H-indole; (1-methylethyl)-cyclohexane With acetic acid In dichloromethane for 0.5h; Stage #2: With sodium tris(acetoxy)borohydride In dichloromethane Inert atmosphere;	A 33% B n/a

...Expand

: 696-29-7
(1-methylethyl)-cyclohexane

: C9H17N3

B: (2-azidopropan-2-yl)cyclohexane

C: C9H17N3

Conditions

Conditions	Yield
With sodium azide; iodosylbenzene; C32H46ClMnN2O2 In water; ethyl acetate at 23℃;	A 10% B 28% C 10%

...Expand

: 696-29-7
(1-methylethyl)-cyclohexane

: 16664-07-6
2-cyclohexyl-2-propanol

Conditions

Conditions	Yield
With [Fe4III(μ-O)2(μ-acetate)6(2,2'-bipyridine)2(H2O)2](NO3-)(OH-); dihydrogen peroxide; acetic acid In water; acetonitrile at 32℃; for 3h; Catalytic behavior;	25%

: 696-29-7
(1-methylethyl)-cyclohexane

: 75-36-5
acetyl chloride

A: 17351-13-2
1,1,3-trimethyl-1,4,5,6,7,7a-hexahydroisobenzofuran

B: 5912-58-3
1-chloroethyl acetate

Conditions

Conditions	Yield
Stage #1: acetyl chloride With aluminum (III) chloride In 1,2-dichloro-ethane for 0.666667h; Stage #2: (1-methylethyl)-cyclohexane In 1,2-dichloro-ethane at 0℃; for 5h;	A 23% B n/a

...Expand

: 696-29-7
(1-methylethyl)-cyclohexane

A: 1687-34-9
1-ethyl-3-methyladamantane

B: 1687-35-0
1,3-Dimethyl-5-ethyladamantane

C: 2109-06-0
1,3,5-Trimethyl-7-ethyladamantane

Conditions

Conditions	Yield
With aluminium trichloride; tertiary butyl chloride at 160℃; for 15h; Product distribution;	A 1.93% B 11.75% C 14.65%

...Expand

: 696-29-7
(1-methylethyl)-cyclohexane

A: 702-79-4
1,3-dimethyladamantane

B: 1687-36-1
1,3,5,7-tetramethyladamantane

C: 493-02-7
trans-Decalin

D: 770-69-4
1-ethyladamantane

E: 707-35-7
1,3,5-trimethyladamantane

: 768-91-2
1-methyl-adamantane

Conditions

Conditions	Yield
With aluminium trichloride; tertiary butyl chloride at 160℃; for 15h; Product distribution;	A 8.98% B 7.37% C 7.47% D 2.04% E 13.24% F 1.59%

...Expand

: 696-29-7
(1-methylethyl)-cyclohexane

: 5432-85-9
4-isopropyl-cyclohexanone

Conditions

Conditions	Yield
With dihydrogen peroxide; vanadium phosphorus oxide In acetonitrile at 70℃; for 20h;	8%

: 106-98-9
1-butylene

: 696-29-7
(1-methylethyl)-cyclohexane

: 1-sec-butyl-4-isopropyl-cyclohexane

Conditions

Conditions	Yield
With sulfuric acid

: 696-29-7
(1-methylethyl)-cyclohexane

A: 74-98-6
propane

B: 1839-63-0
1,3,5-trimethylcyclohexane

Conditions

Conditions	Yield
With aluminium trichloride at 130 - 145℃;

: 696-29-7
(1-methylethyl)-cyclohexane

: 90533-59-8
1,7-Dibrom-isopropylcyclohexan

Conditions

Conditions	Yield
With bromine In tetrachloromethane Irradiation;

: 696-29-7
(1-methylethyl)-cyclohexane

: 825-08-1
1-isopropyl-cyclohexyl hydroperoxide

Conditions

Conditions	Yield
With oxygen

: 696-29-7
(1-methylethyl)-cyclohexane

A: 3983-08-2
3-isopropylcyclohexene

B: 5749-72-4
isopropylidenecyclohexane

C: 4292-04-0
1-isopropylcyclohexene

D: 2157-18-8
isopropenylcyclohexane

E: 14072-82-3
4-isopropyl-cyclohexene

Conditions

Conditions	Yield
trans-carbonylchlorobis(trimethylphosphine)rhodium Mechanism; Irradiation;

...Expand

Isopropylcyclohexane Specification

The CAS register number of Isopropylcyclohexane is 696-29-7. It also can be called as Cyclohexane,(1-methylethyl)- and the IUPAC name about this chemical is propan-2-ylcyclohexane. The molecular formula about this chemical is C₉H₁₈ and the molecular weight is 126.24. This chemical is flammable. It is harmful and it may cause lung damage if swallowed. If swallowed, please do not induce vomitting, seek medical advice immediately and show this container or label.

Physical properties about Isopropylcyclohexane are: (1)ACD/LogP: 4.76; (2)ACD/LogD (pH 5.5): 4.76; (3)ACD/LogD (pH 7.4): 4.76; (4)ACD/BCF (pH 5.5): 2426.3; (5)ACD/BCF (pH 7.4): 2426.3; (6)ACD/KOC (pH 5.5): 9215.92; (7)ACD/KOC (pH 7.4): 9215.92; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.436; (10)Molar Refractivity: 41.53 cm³; (11)Molar Volume: 158.5 cm³; (12)Polarizability: 16.46x10^-24cm³; (13)Surface Tension: 25.6 dyne/cm; (14)Flash Point: 35.6 °C; (15)Enthalpy of Vaporization: 37.27 kJ/mol; (16)Boiling Point: 151.9 °C at 760 mmHg; (17)Vapour Pressure: 4.59 mmHg at 25°C.

Preparation: this chemical can be prepared by carbonochloridic acid isopropyl ester and cyclohexene. This reaction is a kind of Alkylation//Friedel-Crafts alkylation. This reaction will need reagent Et₃Al₂Cl₃, Et₃SiH and solvent CH₂Cl₂. The reaction time is 1 hour(s) with reaction temperature of 20 °C. The yield is about 82%.

Uses of Isopropylcyclohexane: it can be used to produce (1-Isopropylcyclohexyl)methanol and ethane-1,2-diol with methanol at heating or irradiation. This reaction will need reagent Hg with reaction time of 2 day(s). The yield is about 52%.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)C1CCCCC1
(2)InChI: InChI=1/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
(3)InChIKey: GWESVXSMPKAFAS-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H18/c1-8(2)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
(5)Std. InChIKey: GWESVXSMPKAFAS-UHFFFAOYSA-N

Product Name

(1-Methylethyl)cyclohexane

Synthetic route

Isopropylcyclohexane Specification

Related Products

Hot Products