CAS No.696-29-7,(1-Methylethyl)cyclohexane Suppliers

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Basic Information

Molecular Structure:
CAS No.:	696-29-7
Name:	(1-Methylethyl)cyclohexane
Article Data:	71

Formula:	C₉H₁₈
Molecular Weight:	126.242
Synonyms:	Cyclohexane,isopropyl- (6CI,8CI);(1-Methylethyl)cyclohexane;Isopropylcyclohexane;NSC73963;
EINECS:	211-792-4
Density:	0.796 g/cm³
Boiling Point:	151.9 °C at 760 mmHg
Flash Point:	35.6 °C
Appearance:	colorless clear liquid
Hazard Symbols:	Xn
Risk Codes:	10-65
Safety:	62
Transport Information:	UN 3295 3/PG 3
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%

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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