Ethylbenzene supplier | CasNO.100-41-4

Name
Ethylbenzene
EINECS 202-849-4
CAS No. 100-41-4
Article Data1946
CAS DataBase
Density 0.865 g/cm³
Solubility 0.0206 g/100 mL in water
Melting Point -95 °C(lit.)
Formula C₈H₁₀
Boiling Point 136.248 °C at 760 mmHg
Molecular Weight 106.167
Flash Point 25.941 °C
Transport Information UN 1175 3/PG 2
Appearance colourless liquid
Safety 9-16-29-33-24/25-36/37-36-45-36/37/39-26-23-53-7-24
Risk Codes 12-19-22-66-67-20-11-48/20/22-40-38-36/37/38-23/24/25-46-45-39/23/24/25-23/25
Molecular Structure
Hazard Symbols F+,Xn,Xi,F,T
Synonyms EB;Ethylbenzol;NSC 406903;Phenylethane;a-Methyltoluene;
PSA 0.00000
LogP 2.24900

Synthetic route

: 292638-84-7
styrene

: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
With hydrogen; p In methanol for 0.316667h; other substrates;	100%
With polymeric thiol; hydrogen; palladium on activated charcoal for 1h; Product distribution; var. catalysts, further thiol; poisoning effect of thiols;	100%
With hydrogen; Pd-1percent Ho In neat (no solvent) at 90℃; for 0.00583333h; Product distribution; selective hydrogenation; variation of temperature and contact time;	100%

: 100-40-3
4-ethenylcyclohexene

: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
With n-butyllithium; potassium 2-methylbutan-2-olate Mechanism; 1) r.t., 17 h, 2) reflux, 7 h; further reagent: D2O;	100%
at 400℃; Leiten ueber Chrom(III)-oxyd;
at 300 - 320℃; Leiten ueber Nickel-Aluminiumoxyd;

: 98-85-1, 13323-81-4
1-Phenylethanol

: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
With formic acid; ammonium formate; 5%-palladium/activated carbon In ethanol; water at 80℃; Product distribution / selectivity;	100%
With palladium dichloride In methanol at 40℃; for 18h; Inert atmosphere; Green chemistry; chemoselective reaction;	99%
With hydrogen; palladium diacetate; sodium dioctyl sulfosuccinate In tetrahydrofuran at 25℃; under 760.051 Torr; for 24h;	99%

: 536-74-3
phenylacetylene

: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
With hydrogen; palladium on C60 In methanol under 760 Torr; for 0.216667h; Ambient temperature; other substrates: cyclohexene, hex-1-ene, other catalysts: palladium on activated charcoal, C60, other reaction time;	100%
silver tetrafluoroborate; (Ph2PCH2PPh2CHC(O)Ph)>I In dichloromethane at 65℃; for 18h; Pressure (range begins): 120 ;	100%
With hydrogen; N,N′-bis(salicylidene)-ethylenediamino‑palladium In methanol for 0.85h;	100%

: 98-86-2
acetophenone

: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
With hydrogen at 80℃; under 37503.8 Torr; for 0.5h; Autoclave; chemoselective reaction;	100%
With hydrogen In ethanol at 39.84℃; under 760.051 Torr; for 5h;	100%
With Pd/C; hydrogen In chloroform at 20℃; under 760.051 Torr; for 8h; Catalytic behavior;	100%

: 292638-84-7
styrene

: 1333-74-0
hydrogen

: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
With C52H46ClN3P2Ru In dichloromethane-d2 at 50℃; under 3040.2 Torr; for 16h; Reagent/catalyst; Time;	100%
With [Ir(6-Neo)(COD)Cl] In ethanol under 3750.38 Torr; for 1h; Solvent;	100 %Spectr.
at 80℃; under 30003 Torr; for 24h; Reagent/catalyst;

: 1333-74-0
hydrogen

: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
With C61H98ClN3P2Ru In dichloromethane-d2 at 50℃; under 3040.2 Torr; for 14h;	100%

: 292638-84-7
styrene

: 766-77-8
Dimethylphenylsilane

A: 100-41-4
ethylbenzene

B: 128756-74-1
dimethyl(phenyl)(2-phenylethenyl)silane

Conditions

Conditions	Yield
With C11H14FeO4Si2 In toluene at 50℃; for 24h; Kinetics; Reagent/catalyst; Temperature; Inert atmosphere; Schlenk technique;	A n/a B 100%

...Expand

: 141-78-6
ethyl acetate

: 71-43-2
benzene

: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
With hydrogen at 240 - 400℃; under 15001.5 Torr; Reagent/catalyst; Temperature;	99.5%

: 74-85-1
ethene

: 71-43-2
benzene

: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
Product distribution; Heating; synthesis by chemorectification;	99%
mesoporous ZSM-5 Si/Al=120 at 310 - 370℃; under 1875.19 - 3750.38 Torr; Product distribution / selectivity;	75%
boron trifluoride at 180℃; under 22501.8 Torr; Product distribution; other temperatures, other volumetric rates;	59.9%

: 100-39-0
benzyl bromide

: [3-(dimethylamino)propyl]dimethyl aluminium(III)

: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine)palladium dichloride In benzene at 80℃; for 3h;	99%

: 292638-84-7
styrene

: 98-95-3
nitrobenzene

A: 100-41-4
ethylbenzene

B: 62-53-3
aniline

Conditions

Conditions	Yield
With hydrogen; 5% rhodium-on-charcoal; tris(acetylacetonato)cobalt In tetrahydrofuran at 20℃; for 16h;	A 99% B 89%
With hydrogen; 5% rhodium-on-charcoal; iron(II) acetate In tetrahydrofuran at 20℃; for 16h;	A 98% B 80%
With hydrogen; 5% rhodium-on-charcoal In tetrahydrofuran at 20℃; for 16h; Product distribution / selectivity;	A 93% B 31%
With hydrogen at 110℃; under 4560.31 Torr; for 24h; Autoclave; chemoselective reaction;

...Expand

: 538-86-3
benzyl methyl ether

: 75-16-1
methylmagnesium bromide

: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
1,1'-bis-(diphenylphosphino)ferrocene; [1,1'-bis(diphenylphosphino)ferrocene]nickel(II) chloride; potassium iodide In diethyl ether; toluene at 80℃; for 10h;	99%

: 645-59-0
dihydrocinnamonitrile

: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; triisopropyl phosphite; chlorotriisopropylsilane In ethyl-cyclohexane at 160℃; for 15h; Inert atmosphere;	99%
With chloro(1,5-cyclooctadiene)rhodium(I) dimer; triisopropyl phosphite; chlorotriisopropylsilane In ethylcyclohexane at 160℃; for 15h; Inert atmosphere;	99 %Chromat.
With bis(acetylacetonate)nickel(II); 1,1,3,3-Tetramethyldisiloxane; trimethylaluminum; tricyclohexylphosphine In toluene at 130℃; for 24h; Inert atmosphere;	67 %Chromat.
With bis(1,5-cyclooctadiene)nickel (0); hydrogen; trimethylaluminum; tricyclohexylphosphine In toluene at 130℃; under 750.075 Torr; for 24h; Schlenk technique;	79 %Chromat.
With lithium borohydride; C30H21F6N2NiO2P In tetrahydrofuran at 70℃; for 3h; Schlenk technique; Inert atmosphere;	7 %Chromat.

: 292638-84-7
styrene

: 100-52-7
benzaldehyde

A: 100-41-4
ethylbenzene

B: 100-51-6
benzyl alcohol

Conditions

Conditions	Yield
With 3% Au/meso-CeO2; potassium formate In water at 25℃; chemoselective reaction;	A 7% B 99%
With gold supported on mesoporous ceria; hydrogen In isopropyl alcohol at 100℃; under 7500.75 Torr; for 1h;
With tetrakis[3,5-bis(trifluoromethyl)phenyl]boric acid bis(diethyl ether) complex; C32H63CoNP2Si; hydrogen In tetrahydrofuran at 25℃; under 760.051 Torr; for 24h;	A 16 %Chromat. B 99 %Chromat.
With hydrogen In isopropyl alcohol at 130℃; under 11400.8 Torr; for 5h; Reagent/catalyst;

...Expand

: 4249-72-3
2-phenoxy-1-phenylethanol

A: 100-41-4
ethylbenzene

B: 108-95-2
phenol

Conditions

Conditions	Yield
With formic acid In water at 120℃; for 3h; Green chemistry;	A 98% B 99%
With Cu/Al2O3; hydrogen In ethyl acetate at 150℃; under 18751.9 Torr; for 21h; Inert atmosphere; Autoclave;	A 19.1% B 21.7%
With nickel-molybdenum sulfide; hydrogen; potassium hydroxide In methanol at 180℃; under 7500.75 Torr; for 1h;	A 46 %Chromat. B 54 %Chromat.

: 40515-89-7
2-phenethoxybenzene

A: 1678-91-7
ethyl-cyclohexane

B: 100-41-4
ethylbenzene

C: 108-93-0
cyclohexanol

Conditions

Conditions	Yield
With hydrogen; lanthanum(lll) triflate In isopropyl alcohol at 120℃; for 2h;	A 33% B 66% C 99%
With hydrogen In n-heptane at 160℃; under 750.075 Torr; for 6h; Catalytic behavior; Temperature;	A 8 %Chromat. B 92 %Chromat. C 100 %Chromat.
With isopropyl alcohol at 170℃; under 7500.75 Torr; Inert atmosphere; Autoclave;

...Expand

: 672-65-1
(1-chloroethyl)benzene

: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
With phosphonic Acid; iodine In benzene at 100℃; for 36h; Inert atmosphere;	98%
With sodium tetrahydroborate; cetyltributylphosphonium bromide In water; toluene at 80℃; for 3h; Product distribution;	85%
With sodium tetrahydroborate; water In methanol at 20℃; for 0.5h;	81%

: (C5(CH3)5)Fe(CO)2(CH2CH2(C6H5))

: 1631-73-8
trimethylstannane

: (C5(CH3)5)Fe(H)(CO)(Sn(CH3)3)2

B: 122-97-4
3-Phenyl-1-propanol

C: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
In benzene-d6 under Ar; 90°C, 6 h;	A 98% B 63% C 4%

...Expand

: 536-74-3
phenylacetylene

A: 292638-84-7
styrene

B: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
With hydrogen In hexane at 30℃; under 760.051 Torr; for 6h;	A 97% B 3%
With hydrogen; copper-palladium; silica gel In ethanol at 25℃; under 760 Torr; Kinetics;	A 95% B n/a
With hydrogen In ethyl acetate at 20℃; under 760.051 Torr; for 0.5h;	A 9% B 91%

: 124552-52-9
3-Phenyl-propionic acid 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl ester

: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile); tri-n-butyl-tin hydride In toluene for 3h; Heating; decarboxylation was investigated;	97%

: 93-92-5, 50373-55-2
1-phenylethyl acetate

: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
With hafnium(IV) trifluoromethanesulfonate; palladium 10% on activated carbon; hydrogen In neat (no solvent) at 25℃; under 750.075 Torr; for 18h; Time;	97%
With triethylsilane; indium tribromide In chloroform at 60℃; for 1h; Inert atmosphere;	76%
With pyrrolidine; samarium diiodide; water In tetrahydrofuran; decane at 20℃;	73 %Chromat.

: 40515-89-7
2-phenethoxybenzene

A: 100-41-4
ethylbenzene

B: 108-93-0
cyclohexanol

C: 108-95-2
phenol

Conditions

Conditions	Yield
With Ni0.85Rh0.15; hydrogen In water at 95℃; under 760.051 Torr; for 16h; Reagent/catalyst;	A 96% B 27% C 59%
With Ni0.85Ru0.15; hydrogen In water at 95℃; under 760.051 Torr; for 16h; Reagent/catalyst;	A 76% B 69% C 26%
With 57 wt. % Ni/SiO2 In water at 120℃; under 4500.45 Torr; for 1.5h; Activation energy; Catalytic behavior; Temperature; Pressure; Autoclave;

...Expand

: 585-71-7, 38661-81-3
(1-bromoethyl)benzne

: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
With phosphonic Acid; iodine In 1,2-dichloro-ethane at 120℃; for 36h; Inert atmosphere;	95%
With zinc-modified cyanoborohydride In diethyl ether for 3h; Ambient temperature;	91%
With zinc(II) tetrahydroborate In diethyl ether for 1h; Ambient temperature;	91%

: (η5-C5H5)Fe(CO)2CH2CH2C6H5

: 1631-73-8
trimethylstannane

: (C5H5)Fe(H)(CO)(Sn(CH3)3)2

B: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
In benzene-d6 Irradiation (UV/VIS); under Ar; room temp., 7 h; not isolated; NMR;	A 95% B 86%

...Expand

: 847778-96-5
CF3O3S(1-)*C17H19N2OS(1+)

: 917-54-4
methyllithium

: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
With 1,2-dimethoxy-4-methylbenzene In tetrahydrofuran at 60℃; for 0.0833333h;	95%

: 292638-84-7
styrene

: 530-48-3
1,1-Diphenylethylene

A: 612-00-0
1,1'-ethylidenebis-benzene

B: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
With C28H18Co(1-)K(1+)2C4H10O2; hydrogen at 20℃; under 1500.15 Torr; for 3h;	A 18% B 95%

...Expand

: 1480731-83-6
C16H18O

: 100-41-4
ethylbenzene

Conditions

Conditions	Yield
With palladium on activated charcoal In 1,4-dioxane at 160℃; for 8h; Thermodynamic data;	95%

: 98-86-2
acetophenone

A: 100-41-4
ethylbenzene

B: 98-85-1, 13323-81-4
1-Phenylethanol

Conditions

Conditions	Yield
With hydrogen In ethanol at 20℃; under 760.051 Torr; for 5h;	A 6% B 94%
With carbon dioxide; 5%-palladium/activated carbon; hydrogen In water at 49.84℃; under 15001.5 Torr; for 13h; Autoclave; Green chemistry;	A 93% B 7%
With hydrogen In ethanol at 39.84℃; under 760.051 Torr; for 4h;	A 92% B 8%

: 100-41-4
ethylbenzene

: 1678-91-7
ethyl-cyclohexane

Conditions

Conditions	Yield
With hydrogen at 150℃; under 2280.15 Torr; for 0.166667h; Kinetics; Reagent/catalyst; Temperature;	100%
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;	89%
With octylated silica; hydrogen; sodium 4-dodecylbenzenesulfonate; {[(CH3)(C8H17)3N](+)[RhCl4](-)} at 80℃; under 10343 Torr; for 24h;	63%

: 100-41-4
ethylbenzene

: 98-85-1, 13323-81-4
1-Phenylethanol

Conditions

Conditions	Yield
With cerium(IV) triflate; water In acetonitrile at 20℃; for 20h;	100%
With C20H26B10Cl2FeN6; dihydrogen peroxide In methanol at 20℃; for 6h;	91%
With perchloric acid; C13H30N4Fe(3+)CF3O3S(1-)C2H2F3O(1-)C6H5IO In 2,2,2-trifluoroethanol; acetone at -40℃; for 0.166667h; Kinetics; Inert atmosphere; Schlenk technique; Further stages;	39%

: 100-41-4
ethylbenzene

: 585-71-7, 38661-81-3
(1-bromoethyl)benzne

Conditions

Conditions	Yield
With manganese(IV) oxide; bromine In dichloromethane at 20℃; for 0.166667h;	100%
With bromine In tetrachloromethane Solvent;	100%
With carbon tetrabromide; (4,4'-di-tert-butyl-2,2'-dipyridyl)-bis-(2-phenylpyridine(-1H))-iridium(III) hexafluorophosphate In dichloromethane at 20℃; for 36h; Solvent; Reagent/catalyst; Schlenk technique; Inert atmosphere; Irradiation;	99%

: 100-41-4
ethylbenzene

: 98-86-2
acetophenone

Conditions

Conditions	Yield
With potassium permanganate; iron(III) chloride In acetone at -78 - 20℃; for 16h;	100%
With potassium bromate; cerium(IV) oxide In 1,4-dioxane; water; acetic acid at 95℃; for 1h;	100%
With cerium(IV) triflate; water In acetonitrile at 20℃; for 19.5h;	99.7%

: 100-41-4
ethylbenzene

: 26456-05-3
10-methylacridinium perchlorate

: 9-(1-phenyl-1-ethyl)-10-methyl-9,10-dihydroacridine

Conditions

Conditions	Yield
In water; acetonitrile Irradiation;	100%
In acetonitrile at 24.9℃; Rate constant; Quantum yield; Irradiation; also in MeOH;

: 100-41-4
ethylbenzene

: 69226-51-3
2,2,2-trichloroethyl sulfamate

: 2,2,2-trichloroethyl (1-phenylethyl)sulfamate

Conditions

Conditions	Yield
With [bis(acetoxy)iodo]benzene; C32H44ClN4O4Rh2*3CH2Cl2 at 20℃; for 3h; Inert atmosphere;	100%
With [bis(acetoxy)iodo]benzene; bis[rhodium(α,α,α',α'-tetramethyl-1,3-benzenedipropionic acid)]; sodium hydrogencarbonate	90%
With bis{rhodium[3,3'-(1,3-phenylene)bis(2,2-dimethylpropanoic acid)]}; [bis(acetoxy)iodo]benzene In water at 4℃; for 24h;	86%

: 100-41-4
ethylbenzene

A: 123-07-9
4-Ethylphenol

B: 98-85-1, 13323-81-4
1-Phenylethanol

C: 60-12-8
2-phenylethanol

Conditions

Conditions	Yield
With rabbit liver microsomal cytochrome P-450 In water at 25℃; for 12h;	A 0.13% B 99.8% C 0.08%

...Expand

: 126821-58-7
chloro(pentamethylcyclopentadienyl)ruthenium(II) tetramer

: 100-41-4
ethylbenzene

: 942477-60-3
[(η5-pentamethylcyclopentadienyl)Ru(η6-ethylbenzene)]Cl

Conditions

Conditions	Yield
In water other Radiation; (N2); using Schlenk techniques; combining of ethylbenzene (8 equiv.), ((C5Me5)RuCl)4 (1 equiv.) and H2O in glass microwave reaction vessel with stir bar; sealing; microwave irradn. at 50 W (ca. 130°C for 10 min); evapn. of solvent under reduced pressure, extn., trituration with hexane; drying;	99%
In tetrahydrofuran; water other Radiation; (N2); using Schlenk techniques; combining of ethylbenzene (1 equiv.), ((C5Me5)RuCl)4 (1 equiv.), H2O and THF (2:1); microwave irradn. for 15 minat 130°C; cooling to room temp., removal of solvent under reduced pressure, trituration with toluene; drying;	99%
In water Sonication; (N2); using Schlenk techniques; combining of benzene (8 equiv.), ((C5Me5)RuCl)4 (1 equiv.) and H2O in Schlenk tube with stir bar; sealing; heating in oil bath (ca. 115.degre.C) with intermittent sonication for 1-3 ds; cooling to ca. 25°C; evapn. of solvent under reduced pressure, extn./trituration with toluene; drying;

: 100-41-4
ethylbenzene

: 21900-52-7
5-bromo-2-chloro-benzoyl chloride

: 879545-43-4
(5-bromo-2-chlorophenyl)(4-ethylphenyl)methanone

Conditions

Conditions	Yield
Stage #1: ethylbenzene; 5-bromo-2-chloro-benzoyl chloride With aluminum (III) chloride at 10℃; for 0.5h; Stage #2: With sodium hydroxide In water at 15 - 20℃; for 5h;	99%
Stage #1: ethylbenzene; 5-bromo-2-chloro-benzoyl chloride With aluminum (III) chloride In chloroform at 5℃; Friedel Crafts acylation; Cooling; Stage #2: With water In chloroform Cooling with ice;

: 13139-15-6
N-tert-butoxycarbonyl-L-leucine

: 100-41-4
ethylbenzene

: 1375009-11-2
1-phenylethyl N-(tert-butoxycarbonyl)-L-leucinate

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In water at 80℃; for 8h;	99%

: 100-41-4
ethylbenzene

: 86-55-5
1-naphthalenecarboxylic acid

: 1375008-87-9
1-phenylethyl 1-naphthoate

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In water at 80℃; for 3h;	99%

: 100-41-4
ethylbenzene

: 99-94-5
p-Toluic acid

: 212261-14-8
1-phenylethyl 4-methylbenzoate

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In water at 80℃; for 8h;	99%
With di-tert-butyl peroxide; C11H23N2(1+)*Br4Fe(1-) at 110℃; for 16h;	84%

: 100-41-4
ethylbenzene

: 74-11-3
para-chlorobenzoic acid

: 111021-11-5
1-phenylethyl 4-chlorobenzoate

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In water at 80℃; for 8h;	99%
With di-tert-butyl peroxide; C11H23N2(1+)*Br4Fe(1-) at 110℃; for 24h;	88%

: 100-41-4
ethylbenzene

: 118-91-2
ortho-chlorobenzoic acid

: 111021-09-1
1-phenylethyl 2-chlorobenzoate

Conditions

Conditions	Yield
With tetra-(n-butyl)ammonium iodide In water at 80℃; for 8h;	99%

Ethylbenzene Consensus Reports

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program. Community Right-To-Know List.

Ethylbenzene Standards and Recommendations

OSHA PEL: TWA 100 ppm; STEL 125 ppm
ACGIH TLV: TWA 100 ppm; STEL 125 ppm; Confirmed Animal Carcinogen with Unknown Revelance to Humans; BEI: 1.5 g/g creatinine of manelic acid) in urine at end of shift at end of workweek
DFG MAK: 100 ppm (440 mg/m³)
NIOSH REL: (Ethyl Benzene) TWA 100 ppm; STEL 125 ppm
DOT Classification: 3; Label: Flammable Liquid

Ethylbenzene Analytical Methods

For occupational chemical analysis use NIOSH: Hydrocarbons, Aromatic, 1501.

Ethylbenzene Specification

The IUPAC name of this chemical is Ethylbenzene. With the CAS registry number 100-41-4, it is also named as Aethylbenzol. The product's categories are Pharmaceutical Intermediates; Organics; Analytical Chemistry; Standard Solution of Volatile Organic Compounds for Water & Soil Analysis; Standard Solutions (VOC); Amber Glass Bottles; ReagentPlus(R) Solvent Grade Products; Solvent Bottles; E-FAlphabetic. It is colourless liquid with an aromatic odor, which can react vigorously with strong oxidizing materials. It is toxic and flammable by fire, heat and oxidants. So the storage environment should be ventilate, low-temperature and dry. Keep Ethyl benzene separate from oxidant and acid.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.229; (4)ACD/LogD (pH 7.4): 3.229; (5)ACD/BCF (pH 5.5): 167.574; (6)ACD/BCF (pH 7.4): 167.574; (7)ACD/KOC (pH 5.5): 1360.491; (8)ACD/KOC (pH 7.4): 1360.491; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1 ; (12)Index of Refraction: 1.497; (13)Molar Refractivity: 35.802 cm³; (14)Molar Volume: 122.251 cm³; (15)Polarizability: 14.193×10^-24 cm³; (16)Surface Tension: 29.072 dyne/cm; (17)Enthalpy of Vaporization: 35.57 kJ/mol; (18)Vapour Pressure: 9.213 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Exact Mass: 106.07825; (21)MonoIsotopic Mass: 106.07825; (22)Heavy Atom Count: 8; (23)Complexity: 51.1.

Preparation of Ethyl benzene: It is manufactured from benzene and ethylene by several modifications of the older mixed liquid-gas reaction system using aluminum chloride as a catalyst (Friedel-Crafts reaction). The reaction takes place in the gas phase over a fixed-bed unit at 370 °C under apressure of 1450 to 2850 kPa. Unchanged and polyethylated materials are recirculated, making a yield of 98 percent possible. The catalyst dperates several days before requiring regeneration.
C₆H₆+ CH₂=CH₂(+AlCl₃/HCl or zeolite) → C₆H₅CH₂CH₃(+AlCl₃/HCl or zeolite)
Excess benzene is used if the formation of di- and trimEthylbenzenes is to be avoided or minimized. The benzene is recycled. In the more modem process the reaction takes place in the liquid phase, using a zeolite catalyst and cycle lengths in excess of 3 years are expected for the catalyst.

Uses of Ethyl benzene: It is important in the petrochemical industry as an intermediate in the production of styrene, which in turn is used for making polystyrene, a commonly used plastic material. It is also used as a solvent for aluminum bromide in the anhydrous electrodeposition of aluminum. In addition, it is used as intermediate syntomycin and chloramphenicol. Besides, it can react with tert-butyl hydroperoxide to get 1-phenylethyl tert-butyl peroxide and 1-phenyl-ethanone. This reaction needs catalyzer vanadium-substituted V-MCM-41 (A) zeolite and solvent acetone at temperature of 60 °C. The reaction time is 8 hours.

When you are using this chemical, please be cautious about it as the following:
It is extremely flammable, so people should keep it away from sources of ignition. And it may form explosive peroxides. In addition, this chemical is not only harmful if swallowed, but also toxic by inhalation, in contact with skin and if swallowed. So people should avoid contact with skin and eyes. Besides, it may cause cancer and may cause heritable genetic damage. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:CCc1ccccc1
2. InChI:InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LCLo	inhalation	10000ppm (10000ppm)	SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: TREMOR	Public Health Reports. Vol. 45, Pg. 1241, 1930.
human	TCLo	inhalation	100ppm/8H (100ppm)	SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE BEHAVIORAL: SLEEP LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	American Industrial Hygiene Association Journal. Vol. 31, Pg. 206, 1970.
mouse	LCLo	inhalation	50gm/m³/2H (50000mg/m³)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 5(5), Pg. 3, 1961.
mouse	LD50	intraperitoneal	2624uL/kg (2.624mL/kg)		Archives of Toxicology. Vol. 58, Pg. 106, 1985.
rabbit	LD50	skin	17800uL/kg (17.8mL/kg)		Food and Cosmetics Toxicology. Vol. 13, Pg. 803, 1975.
rat	LCLo	inhalation	4000ppm/4H (4000ppm)		American Industrial Hygiene Association Journal. Vol. 23, Pg. 95, 1962.
rat	LD50	oral	3500mg/kg (3500mg/kg)	LIVER: OTHER CHANGES KIDNEY, URETER, AND BLADDER: OTHER CHANGES	AMA Archives of Industrial Health. Vol. 14, Pg. 387, 1956.

Product Name

Ethylbenzene

Synthetic route

Ethylbenzene Consensus Reports

Ethylbenzene Standards and Recommendations

Ethylbenzene Analytical Methods

Ethylbenzene Specification

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