Ethoxyethane
Ethylbenzene
CAS: 100-41-4
Molecular Formula: C8H10
Ethoxyethane - Names and Identifiers
| Name | Ethylbenzene |
| Synonyms | EB ET2O ETHER UN1175 HSDB 84 AI3-09057 CCRIS 916 NSC 406903 NCI-C56393 Etylobenzen Ethylbenzol Etilbenzene Phenylethane ETHOXYETHANE Ethylbenzene Aethylbenzol Ethylbenzeen Ethyl benzene Benzene, ethyl- Ethylbenzeen [Dutch] Etylobenzen [Polish] Aethylbenzol [German] Etilbenzene [Italian] Ethyl Ether Anhydrous, Stabilized ETHYLBENZENE REFERENCE SUBSTANCE FOR GAS Ethylbenzene [UN1175] [Flammable liquid] Ethylbenzene in Dimethyl Sulfoxide, USP 467 Standard |
| CAS | 100-41-4 |
| EINECS | 200-467-2 |
| InChI | InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
| InChIKey | YNQLUTRBYVCPMQ-UHFFFAOYSA-N |
Ethoxyethane - Physico-chemical Properties
| Molecular Formula | C8H10 |
| Molar Mass | 106.17 |
| Density | 0.867g/mLat 25°C(lit.) |
| Melting Point | −95°C(lit.) |
| Boling Point | 136°C(lit.) |
| Flash Point | 72°F |
| Water Solubility | 0.0206 g/100 mL |
| Solubility | 0.2g/l |
| Vapor Presure | 28.69 psi ( 55 °C) |
| Vapor Density | 3.7 (vs air) |
| Appearance | Liquid |
| Color | Colorless |
| Odor | Aromatic. |
| Exposure Limit | TLV-TWA 100 ppm (～433 mg/m3) (ACGIH,NIOSH, MSHA, and OSHA); STEL 125 ppm(541 mg/m3) (ACGIH); IDLH 2000 ppm(NIOSH). |
| Merck | 14,3765 |
| BRN | 1901871 |
| Storage Condition | Store below +30°C. |
| Stability | Stable. Incompatible with oxidizing agents. Flammable. |
| Explosive Limit | 1.0-7.8%(V) |
| Refractive Index | n20/D 1.495(lit.) |
| Physical and Chemical Properties | Characteristics of colorless liquid, with aromatic odor, vapor slightly heavier than air. boiling point 136.2 ℃ freezing point -95 ℃ relative density 0.8671 refractive index 1.5009 flash point 15 ℃ solubility: soluble in ethanol, benzene, carbon tetrachloride and ether, almost insoluble in water. |
| Use | Used as a raw material for styrene, but also for Pharmaceutical and Other Organic synthesis |
Ethoxyethane - Risk and Safety
| Risk Codes | R63 - Possible risk of harm to the unborn child R11 - Highly Flammable R20/22 - Harmful by inhalation and if swallowed. R36/38 - Irritating to eyes and skin. R40 - Limited evidence of a carcinogenic effect R48/20 - R65 - Harmful: May cause lung damage if swallowed R20 - Harmful by inhalation R48/20/22 - R38 - Irritating to the skin R22 - Harmful if swallowed R39/23/24/25 - R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R2017/11/20 - |
| Safety Description | S9 - Keep container in a well-ventilated place. S16 - Keep away from sources of ignition. 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 the label whenever 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 vapour. S53 - Avoid exposure - obtain special instructions before use. S7 - Keep container tightly closed. S24 - Avoid contact with skin. S62 - If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. |
| UN IDs | UN 1175 3/PG 2 |
| WGK Germany | 1 |
| RTECS | KI5775000 |
| FLUKA BRAND F CODES | 10 |
| TSCA | Yes |
| HS Code | 2902 60 00 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LD50 orally in rats: 5.46 g/kg (Smyth) |
Ethoxyethane - Upstream Downstream Industry
| Raw Materials | Benzene o-Xylene Ethylene |
| Downstream Products | 1,4-Diethylbenzene p-Nitroacetophenone 2-Ethylanthraquinone |
Ethoxyethane - Nature
Open Data Verified Data
colorless liquid, with aromatic odor, vapor slightly heavier than air. The boiling point is 136.2 ℃ and the refractive index is 1. 5009. The relative density was 0.8671. Freezing point -95 °c. Flash point 15 °c. Spontaneous ignition point was 432. 22 ℃. Specific heat capacity: 1.717J/(g. °C). Viscosity 0.64 MPAs (25 °c). Soluble in ethanol, benzene, carbon tetrachloride and ether, almost insoluble in water.
Last Update：2024-01-02 23:10:35
Ethoxyethane - Preparation Method
Open Data Verified Data
- alkylation of benzene and ethylene in the presence of aluminum chloride catalyst, the liquid phase temperature 95~100 deg C for alkylation reaction, the reactants after hydrolysis, neutralization, it enters the benzene recovery Tower to remove low boiling matters, and the solution in the tower is subjected to rectification to obtain ethylbenzene as a refined product.
- The initial distillation point of the atmospheric pressure column top oil by the reforming recovery method is to 138 ℃, and the 60~138 ℃ fraction is pre-hydrogenated by pre-fractionating, then the fraction is reformed by platinum, and then the aromatic hydrocarbon is extracted with diethylene glycol ether, xylene is obtained by distillation, and then the xylene is further distilled to obtain the product ethylbenzene.
Last Update：2022-01-01 10:39:27
Ethoxyethane - Use
Open Data Verified Data
raw materials for the production of styrene, p-nitroacetophenone, methyl benzophenone. It is used as an intermediate in medicine for the synthesis of chloromycetin and chloromycetin. In addition, it can also be used as a solvent.
Last Update：2022-01-01 10:39:26
Ethoxyethane - Safety
Open Data Verified Data
- This product is toxic. Irritation to the skin than toluene, xylene is stronger, its vapor in the presence of toxic effects below the concentration, will stimulate the eyes, respiratory organs and mucous membranes. At the same time can make the central nervous system first excited, and then a state of anesthesia. At room temperature, the animal can be killed by inhaling saturated ethylbenzene vapor for 30~60min, and the concentration of 1% is to stimulate the mucosa. Within 2~3H, the nerve disorder is caused by the action on the central nervous system, he died of anesthesia. The LC for mice was 10400x 10-6. On the human body in the 1000 x 10-6, has the eye, the skin has a strong stimulation.
- the maximum allowable concentration in the workplace is 100 × 10_6. Ventilation and ventilation should be strengthened at the operation site, and the equipment should be sealed to prevent leakage. Operators should wear protective masks. When acute poisoning is found, you should leave the scene immediately, perform artificial respiration if necessary, inject cardiotonic agent, and ask a doctor for treatment. This product is a flammable and toxic substances, can be used in iron drum packaging or tank car transport, should be stored in a ventilated and cool place to prevent exposure to the sun and heat.
Last Update：2022-01-01 10:39:27
Ethoxyethane - Reference Information
| relative polarity | 0.117 |
| olfactory Threshold | 0.17ppm |
| freezing point | -95 ℃ |
| Henry's Law Constant | 13.9(x 10-3 atm?m3/mol) at 45.00 °C, 15.1 at 50.00 °C, 17.1 at 55.00 °C, 20.1 at 60.00 °C, 20.9 at 65.00 °C, 22.7 at70.00 °C, 34.3 at 80.00 °C (static headspace-GC, Park et al., 2004) |
| LogP | 3.03-3.6 at 20℃ |
| (IARC) carcinogen classification | 2B (Vol. 77) 2000 |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | ethyl benzene, styrene, foreign language named Ethyl benzene, colorless liquid, aromatic odor, insoluble in water, miscible in ethanol, ether and other most organic solvents, more stable nature for organic synthesis and used as a solvent. It has strong irritation to skin and mucosa, and high concentration has anesthetic effect. |
| Use | 1. Used as a raw material for styrene, also used in pharmaceutical and other organic synthesis 2. Ethylbenzene is mainly used for the production of styrene, and then the production of styrene homopolymers and copolymers with styrene AS the main component (ABS,AS, etc.). A small amount of ethylbenzene is used in organic synthesis industry, such as the production of acetophenone, ethyl anthraquinone, P-nitroacetophenone, Methyl Phenyl Ketone and other intermediates. It is used as an intermediate in medicine for the synthesis of chloromycetin and chloromycetin. Also used in spices. 3. Used as chromatographic standard substance and solvent, also used in organic synthesis. used as a raw material of styrene, also used in pharmaceutical and other organic synthesis ethylbenzene is mainly used in the production of styrene, and then the production of styrene homopolymer and copolymer with styrene as the main component (ABS,AS, etc.). A small amount of ethylbenzene is used in organic synthesis industry, such as the production of acetophenone, ethyl anthraquinone, P-nitroacetophenone, Methyl Phenyl Ketone and other intermediates. It is used as an intermediate in medicine for the synthesis of chloromycetin and chloromycetin. Also used in spices. In addition, it can also be used as a solvent. used as standard substance and solvent for chromatography, and also used in organic synthesis |
| preparation | ① ethylbenzene can be prepared by reacting with ethylene using benzene as raw material and aluminum trichloride as catalyst. (2) using benzene as raw material, silica as carrier and alumina as catalyst, ethylbenzene can be prepared by reacting with ethylene at high temperature and high pressure. (3) using benzene as raw material, diatomite and phosphoric acid as catalyst, and ethylene for multi-stage catalytic reaction, ethylbenzene can be prepared. The above three methods are based on benzene as raw material, using catalytic method and ethylene reaction, the reaction is carried out at high temperature and high pressure. ④ ethylbenzene can also be obtained by selective alkylation of waste gas containing olefins and aromatic hydrocarbons with boron trifluoride as catalyst. (5) with Hydroxyethyl benzene as raw material, trifluoroacetic acid and triethylsilane as catalyst, ethylbenzene can be prepared. |
| production method | commercially ethylbenzene is obtained from the reaction of benzene with ethylene in the presence of a catalyst, it can also be separated from the C8 fraction of the naphtha reformate. Approximately 90% of ethylbenzene is now produced industrially by alkylation of benzene. 1. The liquid phase alkylation method is usually at atmospheric pressure, 85-90 ℃, using aluminum trichloride as Catalyst, the reaction of ethylene and benzene to produce ethylbenzene. The side reaction is that ethylbenzene is further alkylated with ethylene to produce polyethylbenzene. The conversion of benzene is industrially limited to 52-55% on the right, and a high benzene-to-ethylene molar ratio (typically around 2) is used to prevent the formation of more diethylbenzene and polyethylbenzene. The average yield of ethylbenzene was 94-96%. 2. The gas phase alkylation method is initially ethylene and excess benzene in phosphoric acid-diatomite with alumina-silica gel catalyst, at 300 deg C, 4-6 MPA for gas phase alkylation reaction to obtain ethylbenzene. Since the catalyst used cannot perform the dealkylation of the polyethylbenzene, the polyethylbenzene cannot be treated. Although the production of polyethylbenzene is reduced by increasing the proportion of benzene, the distillation Cost of circulating benzene is increased. Separation of C8 aromatics from aromatic hydrocarbons produced by catalytic reforming of ethylbenzene. After the separation of benzene and toluene, the boiling point of each component of the mixed xylene fraction is very close. The separation of ethylbenzene by distillation requires 300-400 trays, and the reflux ratio is 75. Alternatively, adsorption separation and chromatographic separation may be used to separate ethylbenzene. Since the separation of ethylbenzene from C8 Aromatics has been economically unable to compete with benzene alkylation of ethylbenzene, and a new generation of noble metal isomerization catalysts can effectively convert ethylbenzene to xylene, thus, the importance of ethylbenzene separation is greatly reduced. |
| category | flammable liquid |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 3500 mg/kg; Intraperitoneal-mouse LD50: 2272 mg/kg |
| stimulation data | Skin-rabbits 15 mg/24 h mild; eye-rabbit 500 mg severe |
| explosive hazard characteristics | explosive when mixed with air |
| flammability hazard characteristics | in case of open flame, high temperature, flammable oxidant; Combustion stimulus smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; Stored separately from oxidants and acids |
| extinguishing agent | dry powder, dry powder, carbon dioxide, foam, 1211 extinguishing agent |
| Occupational Standard | TWA 435 mg/m3; Tel 545 mg/m3 |
| spontaneous combustion temperature | 810 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
| immediate life-threatening and health concentrations | 800 ppm [10% LEL] |
Last Update：2024-04-09 19:55:45
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Raw Materials for Ethoxyethane
Downstream Products for Ethoxyethane