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100-41-4

100-41-4 Structure

100-41-4 Structure
IdentificationMore
[Name]

Ethylenzene
[CAS]

100-41-4
[Synonyms]

AKOS BBS-00004368
DIETHYL ETHER
DIETHYL ETHER 300
DIETHYL ETHER 5000
DIETHYL OXIDE
ET2O
ETHER
ETHOXYETHANE
ETHYLBENZENE
ethylenzene
ETHYL ETHER
ETHYL ETHER 1000
ETHYL OXIDE
PHENYLETHANE
a.-Methyltoluene
Aethylbenzol
alpha-Methyltoluene
Benzene, ethyl-
benzene,ethyl-
EB
[EINECS(EC#)]

200-467-2
[Molecular Formula]

C2H2
[MDL Number]

MFCD00011647
[Molecular Weight]

26.04
[MOL File]

100-41-4.mol
Chemical PropertiesBack Directory
[Appearance]

colourless liquid
[Appearance]

Ethylbenzene is a colorless liquid. Pungent aromatic odor. The Odor Threshold is 0.0920.60 ppm
[mp ]

−95 °C(lit.)
[bp ]

136 °C(lit.)
[density ]

0.867 g/mL at 25 °C(lit.)
[vapor density ]

3.7 (vs air)
[vapor pressure ]

28.69 psi ( 55 °C)
[refractive index ]

n20/D 1.495(lit.)
[Fp ]

72 °F
[storage temp. ]

0-6°C
[Stability:]

Stable. Incompatible with oxidizing agents. Flammable.
[Water Solubility ]

0.0206 g/100 mL
[FreezingPoint ]

-95℃
[Merck ]

14,3765
[BRN ]

1901871
[CAS DataBase Reference]

100-41-4(CAS DataBase Reference)
[NIST Chemistry Reference]

Ethylbenzene(100-41-4)
[EPA Substance Registry System]

100-41-4(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

F+,Xn,Xi,F,T
[Risk Statements ]

R12:Extremely Flammable.
R19:May form explosive peroxides.
R22:Harmful if swallowed.
R66:Repeated exposure may cause skin dryness or cracking.
R67:Vapors may cause drowsiness and dizziness.
R20:Harmful by inhalation.
R11:Highly Flammable.
R48/20/22:Harmful: danger of serious damage to health by prolonged exposure through inhalation and if swallowed .
R40:Limited evidence of a carcinogenic effect.
R38:Irritating to the skin.
R36/37/38:Irritating to eyes, respiratory system and skin .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
R45:May cause cancer.
R39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed .
R23/25:Toxic by inhalation and if swallowed .
[Safety Statements ]

S9:Keep container in a well-ventilated place .
S16:Keep away from sources of ignition-No smoking .
S29:Do not empty into drains .
S33:Take precautionary measures against static discharges .
S24/25:Avoid contact with skin and eyes .
S36/37:Wear suitable protective clothing and gloves .
S36:Wear suitable protective clothing .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S53:Avoid exposure-obtain special instruction before use .
S7:Keep container tightly closed .
S24:Avoid contact with skin .
[RIDADR ]

UN 1175 3/PG 2
[WGK Germany ]

1
[RTECS ]

KI5775000
[F ]

10
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29026000
[Safety Profile]

Moderately toxic by ingestion and intraperitoneal routes. Mildly toxic by inhalation and skin contact. An experimental teratogen. Other experimental reproductive effects. Human systemic effects by inhalation: eye, sleep, and pulmonary changes. An eye and skin irritant. Human mutation data reported. The liquid is an irritant to the skin and mucous membranes. A concentration of 0.1% of the vapor in air is an irritant to human eyes, and a concentration of 0.2% is extremely irritating at first, then causes dizziness, irritation of the nose and throat, and a sense of constriction in the chest. Exposure of guinea pigs to 1% concentration has been reported as causing ataxia, loss of consciousness, tremor of the extremities, and finally death through respiratory failure. The pathological findings were congestion of the brain and lungs with edema. A very dangerous fire and explosion hazard when exposed to heat or flame; can react vigorously with oxidizing materials. To fight fire, use foam, CO2, dry chemical. Emitted from modern budding materials (CENEAR 69,22,91). When heated to decomposition it emits acrid smoke and irritating fumes.
[Hazardous Substances Data]

100-41-4(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Benzene-->Xylene-->Silica gel-->Celite -->Column plate-->PETROLEUM ETHER-->Diethylbenzene-->Isomerization catalyst-->C8 Aromatics
[Preparation Products]

Propylene oxide-->Acetophenone-->Mesitylene-->4-Nitroacetophenone-->Erioglaucine disodium salt-->1-(2-ISOCYANO-ETHYL)-4-METHYL-PIPERAZINE-->α-phenyl-2-p-tolylethylamine-->Iopanoic acid -->Sisthsne-->(1,1-DIMETHYL-PROP-2-YNYL)-HYDRAZINE-->2-(Tributylstannyl)pyrimidine-->Tebufenozide-->4-Ethylbenzoic acid-->4-N-OCTYLBENZALDEHYDE-->4-(2-Methoxyethyl)Phenol-->4-Ethylphenol-->Procainamide hydrochloride-->DL-1-Phenethylalcohol-->sodium 3-[[4-(benzoylethylamino)-2-methylphenyl]azo]-4-hydroxynaphthalene-1-sulphonate -->2-Ethyl anthraquinone-->2-Acetylbenzimidazole-->1,4-DIETHYLBENZENE
Hazard InformationBack Directory
[General Description]

A clear colorless liquid with an aromatic odor. Flash point 59°F. Less dense than water (at 7.2 lb/gal) and insoluble in water. Hence floats on water. Vapors heavier than air. Used as a solvent and to make other chemicals.
[Reactivity Profile]

ETHYLBENZENE(100-41-4) can react vigorously with strong oxidizing materials .
[Air & Water Reactions]

Highly flammable. Insoluble in water.
[Hazard]

Toxic by ingestion, inhalation, and skin absorption; irritant to skin and eyes. Flammable, dangerous fire risk. Possible carcinogen.
[Health Hazard]

Inhalation may cause irritation of nose, dizziness, depression. Moderate irritation of eye with corneal injury possible. Irritates skin and may cause blisters.
[Potential Exposure]

Ethyl benzene is used in styrene manufacture and in synthesis of p-nitroacetophenone; in the manufacture of cellulose acetate, and synthetic rubber. It is also used as a solvent or diluent; and as a component of automotive and aviation gasoline. Significant quantities of EB are present in mixed xylenes. These are used as dilatants in the paint industry, in agricultural sprays for insecticides and in gasoline blends (which may contain as much as 20% EB). In light of the large quantities of EB produced and the diversity of products in which it is found, there may exist environmental sources for ethylbenzene, e.g., vaporization during solvent use; pyrolysis of gasoline and emitted vapors at filling stations. Groups of individuals who are exposed to EB to the greatest extent and could represent potential pools for the expression of EB toxicity include: (1) individuals in commercial situations where petroleum products or by-products are manufactured e.g., rubber or plastics industry); (2) individuals residing in areas with high atmospheric smog generated by motor vehicle emissions
[First aid]

If this chemical gets into the eyes, remove any contact lenses at once and irrigate immediately for at least 15 minutes, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts the skin, remove contaminated clothing and wash immediately with soap and water. Seek medical attention immediately. If this chemical has been inhaled, remove from exposure, begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR if heart action has stopped. Transfer promptly to a medical facility. When this chemical has been swallowed, get medical attention. Give large quantities of water and induce vomiting. Do not make an unconscious person vomit.
[Shipping]

UN1175 Ethylbenzene, Hazard Class: 3; Labels: 3-Flammable liquid
[Incompatibilities]

Vapors may form explosive mixture with air. Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids,oxoacids, and epoxides. Attacks plastics and rubber. May accumulate static electrical charges, and may cause ignition of its vapors.
[Waste Disposal]

Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

ethylbenzene(100-41-4).msds
Questions And AnswerBack Directory
[Uses]

Ethylbenzene is used primarily to make styrene monomer (SM) [1]counting greater than 99%. At less than 1%, it is used as a solvent[2], in fuels[3], or as a starting material[4] to make other chemicals.

[1] Ethylbenzene is mainly used in the manufacture of styrene, which is the raw material of producing styrene-based polymers that are widely used in products such as packaging, kitchen utensils and electronic equipment housing.2
[2] Solvents in a variety of Industries
Which industries
How it is used
Machinery Mfg. and Repair
Solvents
Rubber Manufacture
Solvents
Paint Manufacture
Hydrocarbon Solvents
Wood Stains and Varnishes
Varnish Solvent
Paper Coating
Solvents
Electroplating
Vapors Degreasing Solvents

[3] Ethyl benzene (C6H5C2H5) is the smallest aromatic hydrocarbon molecule with C C key chain structure, and the C C single bond adjacent to benzene ring is far more weaker than those of other chemical bonds thus it is the most easily broken key. It is the characteristic structure of single chain alternative fuels such as n-propylbenzene n-butylbenzene in diesel oil and aviation kerosene.
[4] Ethylbenzene may be used as a starting material to synthesize: (1) Acetophenone via selection oxidation in the presence of potassium dichromate supported on neutral alumina and using air as the oxidizing agent. (2) Styrene via dehydrogenation over nanodiamonds in an oxygen-lean environment.
[Ethylbenzene Production]

Ethylbenzene is currently used on a large scale industrially for the production of styrene monomer. Ethylbenzene may be produced by a number of chemical processes but one process which has achieved a significant degree of commercial success is the alkylation of benzene with ethylene in the presence of a solid, acidic zeolite catalyst.
A preferred catalyst includes the synthetic zeolite identified in this specification as MCM-22.In the production of ethylbenzene by this process; ethylene is used as the alkylating agent and is reacted with benzene in the presence of the catalyst at certain temperatures.
Production of ethylbenzene involves the liquid-phase reaction of ethylene with benzene
C2H4 + C6H6 C8H10
Undesirable reaction occurred by the formation of Di-ethyl benzene from reaction of ethylbenzene with ethylene.
C8H10 + C2H4 C10H14
A third reaction also occurs, in which Di-ethyl benzene reacts with benzene to form ethylbenzene.
C10H14 + C6H6 2C8H10
[Health Effects]

Ethylbenzene has low acute and chronic toxicity for humans. It is toxic to the central nervous system and is an irritant of mucous membranes and the eyes. Ethylbenzene exposure might be associated with hearing loss, neurobehavioral function impairment, and imbalance of neurotransmitters, and it is an inducer of liver microsomal enzymes. The toxicity is stronger along with the rise of exposure volume, see the table below:
 
Exposure Volume in air
Health effects
200 ppm
Ethylbenzene vapor has a transient irritant effect on human eyes
1000 ppm
On the first exposure it is very irritating and causes tearing, but tolerance rapidly develops.
2000 ppm
Eye irritation and lacrimation are immediate and severe.
2,000-5,000 ppm
Human exposures of ethylbenzene are associated with dizziness and vertigo
5000 ppm
It causes intolerable irritation of the eyes and nose

Carcinogenicity
CLASSIFICATION: D; not classifiable as to human carcinogenicity.
BASIS FOR CLASSIFICATION: nonclassifiable due to lack of animal bioassays and human studies.
Spectrum DetailBack Directory
[Spectrum Detail]

Ethylenzene(100-41-4) Raman
Ethylenzene(100-41-4) IR1
Ethylenzene(100-41-4) IR2
Ethylenzene(100-41-4) MS
Ethylenzene(100-41-4) 13C NMR
Ethylenzene(100-41-4) 1H NMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Ethylbenzene, 99.80%(100-41-4)
[Alfa Aesar]

Ethylbenzene, 99%(100-41-4)
[Sigma Aldrich]

100-41-4(sigmaaldrich)
[TCI AMERICA]

Ethylbenzene,>99.0%(GC)(100-41-4)
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