Name: 1,4-Diethylbenzene
SKU: 105-05-5

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Basic Information

Molecular Structure:
CAS No.:	105-05-5
Name:	1,4-Diethylbenzene
Article Data:	96

Formula:	C₁₀H₁₄
Molecular Weight:	134.221
Synonyms:	Benzene,p-diethyl- (8CI);p-Xylene, a,a'-dimethyl- (7CI);p-Diethylbenzene;p-Ethylethylbenzene;
EINECS:	203-265-2
Density:	0.865 g/cm³
Melting Point:	-43 °C
Boiling Point:	183.1 °C at 760 mmHg
Flash Point:	56.7 °C
Solubility:	It is insoluble in water. But soluble in ethanol, benzene,carbon tetrachloride.
Appearance:	clear colorless liquid
Hazard Symbols:	Xi
Risk Codes:	10-36/37/38
Safety:	26-36
Transport Information:	UN 2049 3/PG 3
PSA:	0.00000
LogP:	2.81140

Synthetic route

: 1009-61-6
1,4-Diacetylbenzene

: 105-05-5
1,4-diethylbenzene

Conditions

Conditions	Yield
With triethylsilane; indium(III) bromide In chloroform at 60℃; for 1h; Inert atmosphere;	99%
With hydrogen; palladium on activated charcoal In methanol at 20℃; for 24h;	72%
With hydrogen In 1,3,5-trimethyl-benzene at 175℃; under 37503.8 Torr; for 16h; Autoclave;

: 10504-06-0
2,5-diethyl-furan

: 74-85-1
ethene

: 105-05-5
1,4-diethylbenzene

Conditions

Conditions	Yield
With zeolite H-beta In tetrahydrofuran at 249.84℃; under 20686.5 Torr; for 18h; Reagent/catalyst;	99%

: 1,4-diethylcyclohexa-2,5-diene-1,4-dicarboxylic acid

: 105-05-5
1,4-diethylbenzene

Conditions

Conditions	Yield
With chlorosulfonic acid In dichloromethane at 0℃; regioselective reaction;	85%
With lead(IV) tetraacetate; lithium chloride In chloroform for 3h; Reflux;

: 937-30-4
4-ethylacetophenone

: 105-05-5
1,4-diethylbenzene

Conditions

Conditions	Yield
With hydrogenchloride; hydrogen; palladium on activated charcoal In ethanol at 50℃; under 3102.97 Torr;	77%
With hydrogenchloride; amalgamated zinc
With nickel at 260 - 280℃; durch Hydrogenolyse;

: 67-56-1
methanol

: 36262-33-6
dispiro<2.2.2.2>deca-4,9-diene

A: 105-05-5
1,4-diethylbenzene

B: 105786-55-8
1-Ethyl-4-(2-methoxyethyl)benzol

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal	A n/a B 50%

...Expand

: 425-75-2
trifluoromethanesulfonic acid ethyl ester

: 71-43-2
benzene

A: 100-41-4
ethylbenzene

B: 105-05-5
1,4-diethylbenzene

C: 253185-02-3
ortho-diethylbenzene

Conditions

Conditions	Yield
for 2h; Heating; Yields of byproduct given;	A 30% B n/a C n/a
for 2h; Heating; Yield given;	A 30% B n/a C n/a

...Expand

: 17429-36-6
4-methyl-4-phenylcyclohex-2-enone

A: 620-14-4
1-Methyl-3-ethylbenzene

B: 611-14-3
2-Ethyltoluene

C: 141-93-5
m-diethylbenzene

D: 105-05-5
1,4-diethylbenzene

E: 253185-02-3
ortho-diethylbenzene

F: 933-98-2
3-ethyl-o-xylene

Conditions

Conditions	Yield
With chloranil Product distribution; 1.) 510 deg C, 12 Torr; 2.) benzene, reflux, 20 h; other conditions investigated;	A 1.2% B 0.2% C 1.5% D 1.3% E 10% F 19%

...Expand

: 64-17-5
ethanol

: 71-43-2
benzene

: 105-05-5
1,4-diethylbenzene

Conditions

Conditions	Yield
With mesoporous graphitic C3N4 at 150℃; for 24h; Friedel-Crafts reaction;	18%

: 937-30-4
4-ethylacetophenone

A: 3454-07-7
1-ethenyl-4-ethyl-benzene

B: 105-05-5
1,4-diethylbenzene

C: 2,3-di(4-ethylphenyl)butane

Conditions

Conditions	Yield
With [NiNPtBu3]4; phenylsilane In tetrahydrofuran at 60℃; for 16h; Sealed tube;	A 10% B 16% C n/a

...Expand

: 17429-36-6
4-methyl-4-phenylcyclohex-2-enone

A: 95-47-6
o-xylene

B: 620-14-4
1-Methyl-3-ethylbenzene

C: 611-14-3
2-Ethyltoluene

D: 100-41-4
ethylbenzene

E: 141-93-5
m-diethylbenzene

F: 105-05-5
1,4-diethylbenzene

Conditions

Conditions	Yield
With chloranil Product distribution; 1.) 510 deg C, 12 Torr; 2.) benzene, reflux, 20 h; other conditions investigated;	A 0.5% B 1.2% C 0.2% D 12% E 1.5% F 1.3%

...Expand

Raw Materials

71-43-2

74-88-4

541-41-3

74-96-4

105-58-8

108-88-3

64-17-5

619-64-7

Downstream Products

619-64-7

586-89-0

937-30-4

1009-61-6

100-41-4

100-21-0

22545-13-7

25393-98-0

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- China (Mainland)(25)
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Specification

The Benzene, 1,4-diethyl-, with CAS registry number 105-05-5, belongs to the following product categories: (1)Industrial/Fine Chemicals; (2)Aromatic Ketones (substituted); (3)Alpha Sort; (4)Analytical Standards; (5)AromaticsVolatiles/ Semivolatiles; (6)Chemical Class; (7)D; (8)DAlphabetic; (9)DID - DINChemical Class; (10)Hydrocarbons; (11)Neats; (12)Arenes; (13)Building Blocks; (14)Organic Building Blocks. It has the systematic name of 1,4-diethylbenzene. The main use of this chemical is for solvent and organic synthesis.

Physical properties of Benzene, 1,4-diethyl-: (1)ACD/LogP: 4.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.2; (4)ACD/LogD (pH 7.4): 4.2; (5)ACD/BCF (pH 5.5): 918.05; (6)ACD/BCF (pH 7.4): 918.05; (7)ACD/KOC (pH 5.5): 4596.41; (8)ACD/KOC (pH 7.4): 4596.41; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 45.35 cm³; (15)Molar Volume: 155 cm³; (16)Polarizability: 17.97×10^-24cm³; (17)Surface Tension: 29.1 dyne/cm; (18)Density: 0.865 g/cm³; (19)Flash Point: 56.7 °C; (20)Enthalpy of Vaporization: 40.22 kJ/mol; (21)Boiling Point: 183.1 °C at 760 mmHg; (22)Vapour Pressure: 1.07 mmHg at 25°C.

Preparation: this chemical can be prepared by Ethanone, 1,1'-(1,4-phenylene)bis-. This reaction will need reagent H₂ and solvent methanol. The reaction time is 24 hour(s) with reaction temperature of 20 ℃. The yield is about 72%.

Uses of Benzene, 1,4-diethyl-: it can be used to produce 1,4-diethyl-2,5-diiodo-benzene. This reaction will need reagents I₂, H₅IO₆. The yield is about 100%.

When you are using this chemical, please be cautious about it as the following:
The Benzene, 1,4-diethyl- irritates to eyes, respiratory system and skin. And this chemical is flammable. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(ccc1CC)CC
(2)InChI: InChI=1/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3
(3)InChIKey: DSNHSQKRULAAEI-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C10H14/c1-3-9-5-7-10(4-2)8-6-9/h5-8H,3-4H2,1-2H3
(5)Std. InChIKey: DSNHSQKRULAAEI-UHFFFAOYSA-N

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Specification