ethylbenzene

Organic compound
Collection
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Ethylbenzene is a kind of Aromatic hydrocarbon , chemical formula is C eight H ten , mainly used to produce styrene, and then styrene Homopolymer And with styrene Copolymers (ABS, AS, etc.) are the main components. A small amount of ethylbenzene is used in the organic synthesis industry. Used medicinally Synmycin and chloramphenicol It is also used in perfume. In addition, it can also be used as solvent.
On October 27, 2017, World Health Organization International Agency for Cancer Research The published list of carcinogens is preliminarily sorted out for reference. Ethylbenzene Category 2B carcinogen List. [21]
Chinese name
ethylbenzene
Foreign name
Ethylbenzene
chemical formula
C eight H ten
molecular weight
one hundred and six point one six five
CAS login number
100-41-4
EINECS login number
200-476-2
Melting point
-95 ℃
Boiling point
136.2 ℃
Density
0.867 g/cm ³
Appearance
colorless liquid
Flash point
22.2 ℃
Security description
S7; S9; S16; S23; S24/25; S26; S29; S33; S36/37/39; S45; S53
Hazard symbol
Xn; F
Hazard description
R11; R20

essential information

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Chinese name: Ethylbenzene
English name: ethylbenzene
Chemical formula: C eight H ten
CAS No : 100-41-4
EINECS No.: 202-849-4
 ethylbenzene ethylbenzene ethylbenzene
ethylbenzene

Physical and chemical properties

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physical property

Melting point: - 95 ℃
Boiling point: 136.2 ℃
Flash point: 22.2 ℃
Density: 0.867g/cm three
Refractive index: 1.497
Critical temperature: 343.1 ℃
Critical pressure: 3.70MPa
Ignition temperature: 432 ℃
Upper explosive limit( V / V ): 6.7%
Lower explosive limit( V / V ): 1.0%
Appearance: colorless liquid with aromatic smell
Solubility: insoluble in water, miscible in most organic solvents such as ethanol and ether [19]

chemical property

Ethylbenzene activates the benzene ring because there is ethyl attached to the benzene ring, which is more prone to chemical reaction than benzene. Ethylbenzene can be nitrated or sulfonated. Ethylbenzene reacts with potassium permanganate to produce benzoic acid. Under the catalysis of platinum, silica alumina, isomerization reaction takes place to produce xylene.

Molecular structure data

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Molar refractive index: 8.96
Molar volume (cm three /mol):45.7
Isotonic specific volume (90.2K): 91.5
Surface tension (dyne/cm): 16.0
Dielectric constant (F/m): 3.24
Polarization (10 -24 cm three ):3.55 [19]

Calculate chemical data

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Reference value for drainage parameter calculation (XlogP): None
Number of hydrogen bond donors: 0
Number of hydrogen bond receptors: 0
Number of rotatable chemical bonds: 1
Number of tautomers: 0
Topological molecular polar surface area: 0
Number of heavy atoms: 8
Surface charge: 0
Complexity: 51.1
Number of isotope atoms: 0
Determine the number of atomic structure centers: 0
Number of uncertain atomic structure centers: 0
Determine the number of chemical bond structure centers: 0
Number of uncertain chemical bond structure centers: 0
Number of covalent bond units: 1 [19]

toxicology data

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1. Acute toxicity
LD fifty : 3500mg/kg (rat by mouth); 17800mg/kg (rabbit percutaneous)
LC fifty :55000mg/m three (Inhalation in rats, 2h); 35500mg/m three (Inhaled by mice, 2h)
2. Irritation
Rabbit percutaneous: open stimulation test: 15mg (24h), mild stimulation.
Rabbit via eye: 500mg, severe irritation.
3. Subacute and chronic toxicity
The chronic toxicity of animals showed mild damage to liver, kidney and testis.
4. Mutagenicity
Sister chromatid exchange: human lymphocytes 10mmol/L.
Mammalian somatic mutation: mouse lymphocyte 80mg/L.
5. Teratogenicity
Female rats inhaled 600mg/m 6~15 days after pregnancy three (14h), causing malformation of musculoskeletal system development of offspring rats.
6. Carcinogenicity
IARC carcinogenicity review: G2B, suspected human carcinogen.
7. Others
The lowest toxic concentration (TCLo) inhaled by rats: 985ppm (7h) (pregnancy 1~19d), causing embryotoxicity (such as embryonic development retardation).
The lowest toxic concentration (TCLo) inhaled by rabbits: 99ppm (7h) (pregnancy 1~18d), affecting the number of fetuses per litter. [20]

Ecological data

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1. Ecotoxicity
LC fifty : 32mg/L (96h) (bluegill sunfish); 97.1mg/L (96h) (guppy); 42.3~48.5mg/L (96h) (black headed fish)
IC fifty : 33~160mg/L (72h) (algae)
2. Biodegradability
Aerobic biodegradability: 72~240 h
Anaerobic biodegradability: 4224~5472 h
3. Non biodegradable
Maximum optical absorption wavelength range of photolysis: 208~269.5nm
Photooxidation half-life in air: 8.56~85.6 h
4. Other harmful effects
This substance is harmful to the environment. Because of its high volatility, the main migration process of ethylbenzene in surface water is volatilization and Photolysis in the air, so there is not much bioaccumulation. [20]

purpose

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It is mainly used to produce styrene, and then to produce styrene homopolymers and copolymers with styrene as the main component (ABS, AS, etc.). A small amount of ethylbenzene is used in the organic synthesis industry. It is used medicinally as an intermediate of synmycin and chloramphenicol, and also as a perfume. In addition, it can also be used as solvent.

Leakage emergency treatment

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Evacuate the personnel in the leakage contaminated area to a safe area quickly, isolate them, and strictly restrict access. Cut off the ignition source. Quickly use sand and mud to stop the spread of ethylbenzene sprinkled on the ground. Damming to cut off the flow of polluted water, or fence to limit the spread of ethylbenzene on the water surface. Wear gas masks and gloves, collect the leaked liquid in proper containers for storage, absorb the leaked liquid with sand or other inert materials, and transfer it to a safe area. When ethylbenzene is spilled into the soil, the contaminated soil shall be collected immediately and transferred to a safe area. Ventilation shall be strengthened in the polluted area to evaporate residual liquid and remove ethylbenzene vapor.

Emergency medical treatment

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Diagnostic points
(1) Exposure to high concentrations of ethylbenzene first produces serious eye irritation, such as tears, burning pain, conjunctival congestion and edema, and corneal injury.
(2) The mild patients showed headache, dizziness, nausea, vomiting, chest tightness, gait faltering, ataxia, and the severe patients showed coma, convulsions and other brain edema.
(3) It may be accompanied by toxic liver disease.
(4) Inhalation through respiratory tract may cause chemical tracheitis, pneumonia, pulmonary hemorrhage and pulmonary edema.
(5) The determination of benzoic acid and amygdalin in urine can be used as contact indicators to help diagnosis or differential diagnosis.
Handling principle: Treat symptomatically.
Precautions: During production, pay attention to the contact of hands, face skin and mucous membrane and respiratory protection.

First aid measures

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Skin contact: Take off the contaminated clothes and wash the skin thoroughly with soapy water and clean water.
Eye contact: Lift the eyelid and flush with flowing water or physiological saline. Get medical attention.
Inhalation: quickly leave the site to a place with fresh air. Keep the respiratory tract unobstructed. If breathing is difficult, give oxygen. If breathing stops, perform artificial respiration immediately. Get medical attention.
Ingestion: drink enough warm water, induce vomiting, and seek medical advice.

Protective measures

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Respiratory system protection: When the concentration in the air exceeds the standard, you should wear a self-priming filter type gas mask (half mask). Air respirator or oxygen respirator shall be worn during emergency rescue or evacuation.
Eye protection: wear chemical safety goggles.
Body protection: wear anti-virus work clothes.
Hand protection: wear latex gloves.
Other protection: smoking, eating and drinking are prohibited at the work site. After work, take a shower and change clothes. Keep good hygiene habits.

Operation, disposal, storage and transportation

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Precautions for operation: close operation and strengthen ventilation. Operators must be specially trained and strictly abide by the operating procedures. It is recommended that operators wear self-priming filter gas mask (half mask), chemical safety goggles, anti poison penetration work clothes and rubber oil resistant gloves. Keep away from kindling and heat sources, and smoking is strictly prohibited in the workplace. Use explosion-proof ventilation systems and equipment. Prevent vapor leakage into the air of the workplace. Avoid contact with oxidants. Flow rate shall be controlled during filling, and grounding device shall be provided to prevent static electricity accumulation. Load and unload gently during transportation to prevent damage to packaging and containers. Fire fighting equipment and leakage emergency treatment equipment of corresponding types and quantities shall be provided. Empty containers may leave harmful substances.
Precautions for storage: store in a cool and ventilated warehouse. Keep away from kindling and heat sources. The warehouse temperature should not exceed 30 ℃. Keep container sealed. It shall be stored separately from oxidant and shall not be mixed. Explosion proof lighting and ventilation facilities shall be adopted. It is prohibited to use mechanical equipment and tools that are easy to generate sparks. The storage area shall be equipped with leakage emergency treatment equipment and appropriate materials.
Precautions for transportation: the railway transportation shall be carried out by the steel enterprise's own tank car within the time limit, and shall be reported to the relevant department for approval before shipment. The railway non tank transportation shall be carried out in strict accordance with the dangerous goods loading table in the Dangerous Goods Transportation Rules of the Ministry of Railways. During transportation, the transportation vehicles shall be equipped with corresponding types and quantities of fire-fighting equipment and leakage emergency treatment equipment. It is better to transport in the morning and evening in summer. The tank (tank) car used for transportation shall be equipped with grounding chain, and the tank can be equipped with hole partition to reduce static electricity generated by vibration. It is strictly prohibited to mix with oxidants, edible chemicals, etc. During transportation, it shall be protected from sun exposure, rain and high temperature. Keep away from kindling, heat source and high temperature area during stopover. The exhaust pipe of the vehicle transporting this article must be equipped with a fire retardant device. It is prohibited to use mechanical equipment and tools that are easy to generate sparks for loading and unloading. Road transportation shall be carried out according to the specified route, and do not stay in residential areas and densely populated areas. It is forbidden to slip during railway transportation. It is strictly prohibited to transport in bulk by wooden boat or cement boat.

Substance toxicity

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Toxicity test data reported in literature and journals
number
Toxicity type
test method
Test object
Dosage
Toxic effect
one
acute toxicity
inhalation
human beings
100 ppm/8H
Eye toxicity - not reported
Behavioral toxicity - sleep
Lung, chest or respiratory toxicity - other changes
two
acute toxicity
Oral
Rat
3500 mg/kg
Hepatotoxicity - other changes
Kidney, ureter and bladder toxicity - other changes
three
acute toxicity
inhalation
Rat
4000 ppm/4H
No values other than lethal dose were reported for detailed effects
four
acute toxicity
inhalation
mice
50 gm/m three /2H
No values other than lethal dose were reported for detailed effects
five
acute toxicity
intraperitoneal injection
mice
two thousand six hundred and twenty-four μ L/kg
No values other than lethal dose were reported for detailed effects
six
acute toxicity
skin surface
rabbit
seventeen thousand and eight hundred μ L/kg
No values other than lethal dose were reported for detailed effects
seven
acute toxicity
inhalation
guinea pig
10000 ppm
Olfactory toxicity - not reported
Eye Toxicity - Tearing
Behavioral toxicity - tremor
eight
Chronic toxicity
inhalation
Rat
740 ppm/6H/92D-I
Lung, chest or respiratory toxicity - changes in lung weight
Hepatotoxicity - changes in liver weight
Kidney, ureter and bladder toxicity - changes in bladder weight
nine
Chronic toxicity
inhalation
Rat
782 ppm/6H/4W-I
Hepatotoxicity - changes in liver weight
Blood toxicity - white blood cell count changes
Hemotoxicity - changes in platelet count
ten
Chronic toxicity
inhalation
mice
975 ppm/6H/97D-I
Hepatotoxicity - changes in liver weight
Kidney, ureter and bladder toxicity - changes in bladder weight
eleven
Chronic toxicity
inhalation
mice
782 ppm/6H/4W-I
Hepatotoxicity - changes in liver weight
twelve
Chronic toxicity
inhalation
rabbit
100 mg/m three /4H/30W-I
Hemotoxicity - changes in serum composition
(such as TP, bilirubin, cholesterol)
Blood toxicity - other changes
Blood toxicity - white blood cell count changes
thirteen
Eye toxicity
skin surface
rabbit
15 mg/24H
Less effective
fourteen
Eye toxicity
Eye penetration
rabbit
500 mg
Serious effect
fifteen
Mutagenic toxicity
Human lymphocytes
10 mmol/L
sixteen
Mutagenic toxicity
Mouse lymphocyte
80 mg/L
seventeen
Mutagenic toxicity
Hamster embryo
25 mg/L
eighteen
carcinogenicity
inhalation
Rat
750 ppm/6H/2Y-I
Carcinogenicity - Carcinogenicity
(According to RTECS standard)
Kidney, ureter and bladder toxicity - tumor
nineteen
carcinogenicity
inhalation
mice
750 ppm/6H/2Y-I
Carcinogenicity - Carcinogenicity (according to RTECS standard)
Lung, chest or respiratory toxicity - bronchial cancer
Hepatotoxicity - Tumor
twenty
Reproductive toxicity
inhalation
Rat
97 ppm/7H, 15 days before female conception
Reproductive toxicity - female fertility decline
twenty-one
Reproductive toxicity
inhalation
Rat
985 ppm/7H, 1-19 days after female pregnancy
Reproductive toxicity - fetal toxicity
(such as fetal dysplasia, but not death)
twenty-two
Reproductive toxicity
inhalation
Rat
96 ppm/7H, 1-19 days after female pregnancy
Reproductive Toxicity - Musculoskeletal Dysplasia
twenty-three
Reproductive toxicity
inhalation
Rat
600 mg/m three /24H, 7-15 days after female pregnancy
Reproductive toxicity - increased mortality after implantation
Reproductive toxicity - death of embryos or fetuses
Reproductive Toxicity - Musculoskeletal Dysplasia
twenty-four
Reproductive toxicity
inhalation
Rat
2400 mg/m three /24H, 7-15 days after female pregnancy
Reproductive toxicity - fetal toxicity
(such as fetal dysplasia, but not death)
twenty-five
Reproductive toxicity
inhalation
rabbit
99 ppm/7H, 1-18 days after female pregnancy
Reproductive toxicity - affecting litter size
twenty-six
Reproductive toxicity
inhalation
rabbit
500 mg/m three /24H, 7-20 days after female pregnancy
Reproductive toxicity - fetal toxicity
(such as fetal dysplasia, but not death)
twenty-seven
Reproductive toxicity
inhalation
rabbit
1 gm/m three /24H, 7-20 days after female pregnancy
Reproductive toxicity - abortion
Substance toxicity: [1-18]

security information

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Safety terminology

S7:Keep container tightly closed.
Store in a tightly closed container.
S9:Keep container in a well-ventilated place.
Keep the container in a well ventilated place.
S16:Keep away from sources of ignition - No smoking.
Keep away from ignition sources and no smoking.
S23:Do not breathe gas/fumes/vapour/spray.
Do not breathe gas/smoke/vapor/spray.
S24/25:Avoid contact with skin and eyes.
Avoid skin and eye contact.
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
After eye contact, immediately flush with plenty of water and seek medical advice.
S29:Do not empty into drains.
Do not discharge into the sewer.
S33:Take precautionary measures against static discharges.
Take precautions against static electricity.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Wear appropriate protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the lable where possible).
In case of an accident or feeling unwell, seek medical advice immediately (show the label if possible).
S53:Avoid exposure - obtain special instructions before use.
Avoid contact and obtain special instructions before use.

Risk terminology

R11:Highly flammable.
Highly flammable.
R20:Harmful by inhalation.
Harmful by inhalation.