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Home> Hot Product Listed E   > Ethylbenzene

Ethylbenzene

CAS No.:100-41-4
EINECS(EC#):202-849-4
Molecular Weight:106.17
Molecular Formula:C8H10 (Products with the same molecular formula)
MOL File:100-41-4.mol
Names and Identifiers
Synonyms

Ethylbenzene-

Inchi
InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChkey
YNQLUTRBYVCPMQ-UHFFFAOYSA-N
Canonical Smiles
CCC1=CC=CC=C1
Properties
Appearance
colourless liquid
Density
0.865
Melting Point
-94℃
Boiling Point
136-140℃
Vapour
9.21mmHg at 25°C
Refractive Index
1.494-1.498
Flash Point
21℃
Water
0.0206 g/100 mL
Solubilities
0.0206 g/100 mL
Color/Form
Colorless liquid
Stability
Stable. Incompatible with oxidizing agents. Flammable.
Storage temp
0-6°C
Spectral properties
SADTLER REF NUMBER: 246 (IR, PRISM); 82 (IR, GRATING)
IR: 4779 (Coblentz Society Spectral Collection)
UV: 97 (Sadtler Research Laboratories Spectral Collection)
NMR: 505 (Varian Associates NMR Spectra Catalogue)
MASS: 322 (Atlas of Mass Spectral Data, John Wiley & Sons, New York)
Index of refraction: 1.4959 at 20 deg C/D
Safety and Handling
Hazard Codes
F; Xn
Risk Statements
R11;R20
Safety Statements
S16;S24/25;S29
HazardClass
3
Safety
Hazard Codes:F+,Xn,Xi,F,T
Risk Statements: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
12:Extremely Flammable
19:May form explosive peroxides
22:Harmful if swallowed
66:Repeated exposure may cause skin dryness or cracking
67:Vapors may cause drowsiness and dizziness
20:Harmful by inhalation
11:Highly Flammable
48/20/22:Harmful: danger of serious damage to health by prolonged exposure through inhalation and if swallowed
40:Limited evidence of a carcinogenic effect
38:Irritating to the skin
36/37/38:Irritating to eyes, respiratory system and skin
23/24/25:Toxic by inhalation, in contact with skin and if swallowed
46:May cause heritable genetic damage
45:May cause cancer
39/23/24/25:Toxic: danger of very serious irreversible effects through inhalation, in contact with skin and if swallowed
23/25:Toxic by inhalation and if swallowed
Safety Statements:9-16-29-33-24/25-36/37-36-45-36/37/39-26-23-53-7-24
9:Keep container in a well-ventilated place
16:Keep away from sources of ignition - No smoking
29:Do not empty into drains
33:Take precautionary measures against static discharges
24/25:Avoid contact with skin and eyes
36/37:Wear suitable protective clothing and gloves
36:Wear suitable protective clothing
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer)
53:Avoid exposure - obtain special instruction before use
7:Keep container tightly closed
24:Avoid contact with skin
RIDADR:UN 1175 3/PG 2
WGK Germany:1
HazardClass:3
PackingGroup:II
Hazardous Substances Data:100-41-4(Hazardous Substances Data)
PackingGroup
II
Skin, Eye, and Respiratory Irritations
... CHARACTERIZED ... AS MOST SEVERE IRRITANT OF THE BENZENE SERIES.
A concn of 200 ppm causes eye irritation. A concn of 100 ppm for 8 hr caused irritative effects in a human.
EXPOSURE TO CONCN OF 5000 PPM /24.6 MG/L/ ... CAUSES INTOLERABLE IRRITATION OF EYES, MUCOUS MEMBRANES & NOSE.
HAZARD WARNING: ... exposure to 21.5 g/cu m (5000 ppm) ethylbenzene for a few seconds gives intolerable irritation of nose, eyes, and throat.
Cleanup Methods
1) REMOVE ALL IGNITION SOURCES. 2) VENTILATE AREA OF SPILL OR LEAK. 3) FOR SMALL QUANTITIES, ABSORB ON PAPER TOWELS. EVAPORATE IN SAFE PLACE (SUCH AS FUME HOOD). ... BURN PAPER IN SUITABLE LOCATION AWAY FROM COMBUSTIBLE MATERIALS. LARGE QUANTITIES CAN BE COLLECTED & ATOMIZED IN SUITABLE COMBUSTION CHAMBER.
Land spills should be contained; skimming equipment and/or sorbent (polyurethane) foams can be used. Use of activated carbon is recommended.
Water spills should be contained; skimming equipment and/or sorbent (polyurethane) foams can be used to remove the slick. Universal gelling agent can be used to solidify a trapped mass. Use of activated carbon on dissolved portion is recommended.
Environmental considerations: Land spill: Dig a pit, pond, lagoon, or holding area to contain liquid or solid material. /SRP: If time permits, pits, ponds, lagoons, soak holes, or holding areas should be sealed with an impermeable flexible membrane liner./ Dike surface flow using sand bags, foamed polyurethane, or foamed concrete. Absorb bulk liquid with fly ash, cement powder, sawdust, or commercial sorbents. Apply "universal" gelling agent to immobilize spill. Apply appropriate foam to diminish vapor and fire hazard.
Environmental considerations - Air spill: Apply water spray or mist to knock down vapors.
Environmental considerations: Water spill: Use natural barriers or oil spill control booms to limit spill travel. Use surface active agent (e.g., detergent, soaps, alcohols), if approved by EPA. Inject "universal" gelling agent to solidify encircled spill and increase effectiveness of booms. If dissolved, in region of 10 ppm or greater concentration, apply activated carbon at ten times the spilled amount. Remove trapped material with suction hoses. Use mechanical dredges or lifts to remove immobilized masses of pollutants and precipitates.
ABSORB IN VERMICULITE, DRY SAND, EARTH OR SIMILAR MATERIAL
Transport
UN 1175
Fire Fighting Procedures
Approach fire from upwind to avoid hazardous vapors and toxic decomposition products. Use water spray, dry chemical, foam, or carbon dioxide. Use water spray to keep fire-exposed containers cool.
If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped or safely confined. Use water in flooding quantities as fog. Solid streams of water may spread fire. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, carbon dioxide, or dry chemical.
Fire Potential
A very dangerous fire ... hazard when exposed to heat or flame ...
Electrical ignition hazard: May be ignited by static discharge.
Formulations/Preparations
GRADE: TECHNICAL 99.0%; PURE 99.5%; RESEARCH 99.98%.
Grade: Technical, pure, research
DOT Emergency Guidelines
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Fire or Explosion: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Health: May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Public Safety: CALL Emergency Response Telephone Number ... . As an immediate precautionary measure, isolate spill or leak area for at least 50 meters (150 feet) in all directions. Keep unauthorized personnel away. Stay upwind. Keep out of low areas. Ventilate closed spaces before entering.
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Protective Clothing: Wear positive pressure self-contained breathing apparatus (SCBA). Structural firefighters' protective clothing will only provide limited protection.
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Evacuation: Large spill: Consider initial downwind evacuation for at least 300 meters (1000 feet). Fire: If tank, rail car or tank truck is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions.
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Fire: CAUTION: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. Small fires: Dry chemical, CO2, water spray or regular foam. Large fires: Water spray, fog or regular foam. Do not use straight streams. Move containers from fire area if you can do it without risk. Fire involving tanks or car/trailer loads: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn.
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ Spill or Leak: ELIMINATE all ignition sources (no smoking, flares, sparks or flames in immediate area). All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean non-sparking tools to collect absorbed material. Large spills: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor; but may not prevent ignition in closed spaces.
/GUIDE 130: FLAMMABLE LIQUIDS (NON-POLAR/WATER-IMMISCIBLE/NOXIOUS)/ First Aid: Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. Wash skin with soap and water. Keep victim warm and quiet. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves.
Reactivities and Incompatibilities
Incompatibilities: Strong oxidizers.
... Can react vigorously with oxidizing materials.
Strong oxidizers.
Other Preventative Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Employees should wash promptly when skin is wet or contaminated. Remove clothing immediately if wet or contaminated to avoid flammability hazard.
BEFORE WORKERS ARE ALLOWED TO ENTER A REACTION VESSEL ... THE VESSEL SHOULD BE PURGED AND WELL VENTILATED. PERSONAL PROTECTIVE EQUIPMENT SHOULD BE SUPPLIED ...
... SUBSTITUTION OF LESS IRRITATING SUBSTANCES, ... REDESIGN OF OPERATIONS, ... PREVENT CONTACT, PROVISION OF A PHYSICAL BARRIER AGAINST CONTACT, PROPER WASHING FACILITIES, PROPER WORK CLOTHING AND STORAGE FACILITIES, PROTECTIVE CLOTHING, BARRIER CREAMS, AND MEDICAL CONTROL ...
Personnel protection: Avoid breathing vapors. Keep upwind. ... Do not handle broken packages without protective equipment. Wash away any material which may have contacted the body with copious amounts of water or soap and water.
COMBUSTION MAY BE IMPROVED BY MIXING WITH MORE FLAMMABLE LIQ. ... SHOULD NOT BE ALLOWED TO ENTER CONFINED SPACE, SUCH AS SEWER, BECAUSE OF POSSIBILITY OF EXPLOSION.
If material not on fire and not involved in fire: Keep sparks, flames, and other sources of ignition away. Keep material out of water sources and sewers. Build dikes to contain flow as necessary. Attempt to stop leak if without hazard. Use water spray to knock-down vapors.
The worker should immediately wash the skin when it becomes contaminated.
Work clothing that becomes wet should be immediately removed due to its flammability hazard.
Protective Equipment and Clothing
Wear full protective clothing and positive pressure self-contained breathing apparatus.
Rubber overclothing (including gloves)
Wear appropriate personal protective clothing to prevent skin contact.
Wear appropriate eye protection to prevent eye contact.
Recommendations for respirator selection. Max concn for use: 800 ppm. Respirator Class(es): Any chemical cartridge respirator with organic vapor cartridge(s). May require eye protection. Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister. Any powered, air-purifying respirator with organic vapor cartridge(s). May require eye protection. Any supplied-air respirator. May require eye protection. Any self-contained breathing apparatus with a full facepiece.
Recommendations for respirator selection. Condition: Emergency or planned entry into unknown concn or IDLH conditions: Respirator Class(es): Any self-contained breathing apparatus that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode. Any supplied-air respirator that has a full facepiece and is operated in a pressure-demand or other positive-pressure mode in combination with an auxiliary self-contained breathing apparatus operated in pressure-demand or other positive-pressure mode.
Recommendations for respirator selection. Condition: Escape from suddenly occurring respiratory hazards: Respirator Class(es): Any air-purifying, full-facepiece respirator (gas mask) with a chin-style, front- or back-mounted organic vapor canister. Any appropriate escape-type, self-contained breathing apparatus.
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.

Octanol/Water Partition Coefficient
log Kow= 3.15
Report

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

Disposal Methods
Generators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number F003, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.
Ethylbenzene is a waste chemical stream constituent which may be subjected to ultimate disposal by controlled incineration.
A good candidate for liquid injection incineration at a temperature range of 650 to 1,600 deg C and a residence time of 0.1 to 2 seconds. A good candidate for rotary kiln incineration at a temperature range of 820 to 1,600 deg C and residence times of seconds for liquids and gases, and hours for solids. A good candidate for fluidized bed incineration at a temperature range of 450 to 980 deg C and residence times of seconds for liquids and gases, and longer for solids.
The following wastewater treatment technologies have been investigated for ethylbenzene: Activated Carbon.
The following wastewater treatment technologies have been investigated for ethylbenzene: biological treatment.
The following wastewater treatment technologies have been investigated for ethylbenzene: stripping.
Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 1000000_10000000 view >
FULL INDIVIDUAL 0_10 view >
Registered companies:
Registrant / Supplier details Latest dossier received
BASF Antwerpen N.V. 2010
BASF SE 2017
Essar Oil (UK) Limited 2010
more >
MSDS

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SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name ethylbenzene

1.2 Other means of identification

Product number -
Other names ETHYL OXIDE

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only. Hydrocarbons (contain hydrogen and carbon atoms), Volatile organic compounds
Uses advised against no data available

1.4 Supplier's details

Company XiXisys.com
Address XiXisys.com
Telephone XiXisys.com
Fax XiXisys.com

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

2.Hazard identification

2.1 Classification of the substance or mixture

Flammable liquids, Category 2

Acute toxicity - Inhalation, Category 4

Aspiration hazard, Category 1

Specific target organ toxicity \u2013 repeated exposure, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H225 Highly flammable liquid and vapour

H332 Harmful if inhaled

H304 May be fatal if swallowed and enters airways

H373 May cause damage to organs through prolonged or repeated exposure

Precautionary statement(s)
Prevention

P210 Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.

P233 Keep container tightly closed.

P240 Ground and bond container and receiving equipment.

P241 Use explosion-proof [electrical/ventilating/lighting/...] equipment.

P242 Use non-sparking tools.

P243 Take action to prevent static discharges.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P271 Use only outdoors or in a well-ventilated area.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

Response

P303+P361+P353 IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water [or shower].

P370+P378 In case of fire: Use ... to extinguish.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P331 Do NOT induce vomiting.

P314 Get medical advice/attention if you feel unwell.

Storage

P403+P235 Store in a well-ventilated place. Keep cool.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

3.Composition/information on ingredients

3.1 Substances

Chemical name Common names and synonyms CAS number EC number Concentration
ethylbenzene ethylbenzene 100-41-4 none 100%

4.First-aid measures

4.1 Description of necessary first-aid measures

General advice

Consult a physician. Show this safety data sheet to the doctor in attendance.

If inhaled

Fresh air, rest. Refer for medical attention.

In case of skin contact

Remove contaminated clothes. Rinse and then wash skin with water and soap.

In case of eye contact

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

If swallowed

Rinse mouth. Do NOT induce vomiting. Refer for medical attention .

4.2 Most important symptoms/effects, acute and delayed

Inhalation may cause irritation of nose, dizziness, depression. Moderate irritation of eye with corneal injury possible. Irritates skin and may cause blisters. (USCG, 1999)

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. (ERG, 2016)

4.3 Indication of immediate medical attention and special treatment needed, if necessary

Immediate First Aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand-valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Aromatic hydrocarbons and related compounds/

5.Fire-fighting measures

5.1 Extinguishing media

Suitable extinguishing media

Suitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical, or carbon dioxide.

5.2 Specific hazards arising from the chemical

Special Hazards of Combustion Products: Irritating vapors are generated when heated. Behavior in Fire: Vapor is heavier than air and may travel considerable distance to the source of ignition and flash back. (USCG, 1999)

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. Substance may be transported hot. For hybrid vehicles, ERG Guide 147 (lithium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. If molten aluminum is involved, refer to ERG Guide 169. (ERG, 2016)

5.3 Special protective actions for fire-fighters

Wear self-contained breathing apparatus for firefighting if necessary.

6.Accidental release measures

6.1 Personal precautions, protective equipment and emergency procedures

Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8.

6.2 Environmental precautions

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Ventilation. Do NOT let this chemical enter the environment. Do NOT wash away into sewer. Collect leaking and spilled liquid in covered containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

6.3 Methods and materials for containment and cleaning up

ACCIDENTAL RELEASE MEASURES: Personal precautions, protective equipment and emergency procedures: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas. Environmental precautions: Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the environment must be avoided. Methods and materials for containment and cleaning up: Contain spillage, soak up with non-combustible absorbent material, (e.g. sand, earth, diatomaceous earth, vermiculite) and transfer to a container for disposal according to local/national regulations.

7.Handling and storage

7.1 Precautions for safe handling

Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2.

7.2 Conditions for safe storage, including any incompatibilities

Fireproof. Separated from strong oxidants. Provision to contain effluent from fire extinguishing. Store in an area without drain or sewer access.Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be carefully resealed and kept upright to prevent leakage. Hygroscopic. Storage class (TRGS 510): Flammable liquids.

8.Exposure controls/personal protection

8.1 Control parameters

Occupational Exposure limit values

Recommended Exposure Limit: 10 Hour Time-Weighted Average: 100 ppm (435 mg/cu m).

Recommended Exposure Limit: 15 Minute Short-Term Exposure Limit: 125 ppm (545 mg/cu m).

Biological limit values

no data available

8.2 Appropriate engineering controls

Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.

8.3 Individual protection measures, such as personal protective equipment (PPE)

Eye/face protection

Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).

Skin protection

Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it.

Respiratory protection

Wear dust mask when handling large quantities.

Thermal hazards

no data available

9.Physical and chemical properties

Physical state colourless liquid
Colour Colorless liquid
Odour Aromatic odor
Melting point/ freezing point -94\u00baC
Boiling point or initial boiling point and boiling range 136\u00b0C(lit.)
Flammability Class IB Flammable Liquid: Fl.P. below 22.78\u00b0C and BP at or above 37.78\u00b0C.Highly flammable.
Lower and upper explosion limit / flammability limit Lower flammable limit: 0.8% by volume; Upper flammable limit: 6.7% by volume
Flash point 15\u00b0C
Auto-ignition temperature 432.22\u00b0C
Decomposition temperature no data available
pH no data available
Kinematic viscosity 0.64 cP at 25\u00b0C
Solubility In water:0.0206 g/100 mL
Partition coefficient n-octanol/water (log value) log Kow = 3.15
Vapour pressure 28.69 psi ( 55 \u00b0C)
Density and/or relative density 0.867g/mLat 25\u00b0C(lit.)
Relative vapour density 3.7 (vs air)
Particle characteristics no data available

10.Stability and reactivity

10.1 Reactivity

no data available

10.2 Chemical stability

Stable under recommended storage conditions.

10.3 Possibility of hazardous reactions

A very dangerous fire ... hazard when exposed to heat or flame ...The vapour mixes well with air, explosive mixtures are easily formed.ETHYLBENZENE can react vigorously with strong oxidizing materials .

10.4 Conditions to avoid

no data available

10.5 Incompatible materials

Incompatible materials: Strong oxidizing agents.

10.6 Hazardous decomposition products

Hazardous decomposition products formed under fire conditions - Carbon oxides.

11.Toxicological information

Acute toxicity

  • Oral: LD50 Rat oral 5.46 g/kg.
  • Inhalation: no data available
  • Dermal: no data available

Skin corrosion/irritation

no data available

Serious eye damage/irritation

no data available

Respiratory or skin sensitization

no data available

Germ cell mutagenicity

no data available

Carcinogenicity

CLASSIFICATION: D; not classifiable as to human carcinogenicity. BASIS FOR CLASSIFICATION: nonclassifiable due to lack of animal bioassays and human studies. HUMAN CARCINOGENICITY DATA: None. ANIMAL CARCINOGENICITY DATA: None. NTP has plans to initiate bioassay. Metabolism and excretion studies at 3.5, 35 and 350 mg/kg are to be conducted as well.

Reproductive toxicity

No information is available on the developmental or reproductive effects of ethylbenzene in humans. Animal studies have reported developmental effects, such as fetal resorptions, retardation of skeletal development, and an increased incidence of extra ribs in animals exposed to ethylbenzene via inhalation. (,3,5)

STOT-single exposure

no data available

STOT-repeated exposure

no data available

Aspiration hazard

no data available

12.Ecological information

12.1 Toxicity

  • Toxicity to fish: LC50; Species: Lepomis macrochirus /bluegill/; Concentration: 32 mg/L for 96 hr /Conditions of bioassay not specified
  • Toxicity to daphnia and other aquatic invertebrates: no data available
  • Toxicity to algae: no data available
  • Toxicity to microorganisms: no data available

12.2 Persistence and degradability

After a period of inocula adaptation, ethylbenzene is biodegraded fairly rapidly by sewage or activated sludge inoculua(1-3). As a component of gas oil, it is completely degraded in groundwater in 8 days(4) and seawater in 10 days(5). In a mesocosm experiment using simulated Narragansett Bay conditions, complete biodegradation occurred in approximately 2 days after a 2 week lag in spring and a 2 day lag in summer(6). Part of the attenuation in concentration from a leaky gasoline storage tank in the chalk aquifer in England has been attributed to biodegradation(7). No degradation was observed in an anaerobic reactor even after 110 days acclimation(8) or at low concentrations in a batch reactor in 11 weeks under denitrifying conditions(9). Percent removal in an anaerobic, continuous-flow, laboratory biofilm column was 7% after a 2 day detention time(10); 99% removal was observed in a similar aerobic column following a 20 min detention time(10).

12.3 Bioaccumulative potential

A BCF of 15 (log BCF of 1.19) was measured for ethylbenzene in goldfish(1). Ethylbenzene did not bioaccumulate in Coho salmon (Oncorhynchus kisutch) and starry flounder (Platichthys stellatus), BCF approximated as 1, in tests using 0.005 mg/L ethylbenzene(2). According to a classification scheme(2), these BCF values suggest the potential for bioconcentration in aquatic organisms is low. In a shellfish study, the ethylbenzene concentration in clam tissue was 5 times higher than that measured in water after an 8-day continuous-flow exposure to the water-soluble fraction of Cook Inlet crude oil(4).

12.4 Mobility in soil

Measured ethylbenzene Koc values of 224(1), 240(2) and 257(3) have been reported. According to a classification scheme(4), these Koc values suggest that ethylbenzene is expected to have moderate mobility in soil. Sorption and desorption experiments demonstrated that the sorption process of ethylbenzene on marine sediments is reversible and that the sorption is even lower than expected from the log Kow data and the organic carbon content of the sediment(5); it was concluded that the marine sediment compartment is not an important sink for ethylbenzene(5). A soil leaching column study estimated an ethylbenzene Koc of 240 using a chromatographic methodology(6).

12.5 Other adverse effects

no data available

13.Disposal considerations

13.1 Disposal methods

Product

The material can be disposed of by removal to a licensed chemical destruction plant or by controlled incineration with flue gas scrubbing. Do not contaminate water, foodstuffs, feed or seed by storage or disposal. Do not discharge to sewer systems.

Contaminated packaging

Containers can be triply rinsed (or equivalent) and offered for recycling or reconditioning. Alternatively, the packaging can be punctured to make it unusable for other purposes and then be disposed of in a sanitary landfill. Controlled incineration with flue gas scrubbing is possible for combustible packaging materials.

14.Transport information

14.1 UN Number

ADR/RID: UN1175 IMDG: UN1175 IATA: UN1175

14.2 UN Proper Shipping Name

ADR/RID: ETHYLBENZENE
IMDG: ETHYLBENZENE
IATA: ETHYLBENZENE

14.3 Transport hazard class(es)

ADR/RID: 6.1 IMDG: 6.1 IATA: 6.1

14.4 Packing group, if applicable

ADR/RID: II IMDG: II IATA: II

14.5 Environmental hazards

ADR/RID: no IMDG: no IATA: no

14.6 Special precautions for user

no data available

14.7 Transport in bulk according to Annex II of MARPOL 73/78 and the IBC Code

no data available

15.Regulatory information

15.1 Safety, health and environmental regulations specific for the product in question

Chemical name Common names and synonyms CAS number EC number
ethylbenzene ethylbenzene 100-41-4 none
European Inventory of Existing Commercial Chemical Substances (EINECS) Listed.
EC Inventory Listed.
United States Toxic Substances Control Act (TSCA) Inventory Listed.
China Catalog of Hazardous chemicals 2015 Listed.
New Zealand Inventory of Chemicals (NZIoC) Listed.
Philippines Inventory of Chemicals and Chemical Substances (PICCS) Listed.
Vietnam National Chemical Inventory Listed.
Chinese Chemical Inventory of Existing Chemical Substances (China IECSC) Listed.

16.Other information

Information on revision

Creation Date Aug 12, 2017
Revision Date Aug 12, 2017

Abbreviations and acronyms

  • CAS: Chemical Abstracts Service
  • ADR: European Agreement concerning the International Carriage of Dangerous Goods by Road
  • RID: Regulation concerning the International Carriage of Dangerous Goods by Rail
  • IMDG: International Maritime Dangerous Goods
  • IATA: International Air Transportation Association
  • TWA: Time Weighted Average
  • STEL: Short term exposure limit
  • LC50: Lethal Concentration 50%
  • LD50: Lethal Dose 50%
  • EC50: Effective Concentration 50%

References

  • IPCS - The International Chemical Safety Cards (ICSC), website: http://www.ilo.org/dyn/icsc/showcard.home
  • HSDB - Hazardous Substances Data Bank, website: https://toxnet.nlm.nih.gov/newtoxnet/hsdb.htm
  • IARC - International Agency for Research on Cancer, website: http://www.iarc.fr/
  • eChemPortal - The Global Portal to Information on Chemical Substances by OECD, website: http://www.echemportal.org/echemportal/index?pageID=0&request_locale=en
  • CAMEO Chemicals, website: http://cameochemicals.noaa.gov/search/simple
  • ChemIDplus, website: http://chem.sis.nlm.nih.gov/chemidplus/chemidlite.jsp
  • ERG - Emergency Response Guidebook by U.S. Department of Transportation, website: http://www.phmsa.dot.gov/hazmat/library/erg
  • Germany GESTIS-database on hazard substance, website: http://www.dguv.de/ifa/gestis/gestis-stoffdatenbank/index-2.jsp
  • ECHA - European Chemicals Agency, website: https://echa.europa.eu/

Disclaimer: The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. We as supplier shall not be held liable for any damage resulting from handling or from contact with the above product.

Precursor and Product
Computational chemical data

Molecular Weight:106.165 [g/mol]
Molecular Formula:C8H10
XLogP3:3.1
H-Bond Donor:0
H-Bond Acceptor:0
Rotatable Bond Count:1
Exact Mass:106.07825
MonoIsotopic Mass:106.07825
Topological Polar Surface Area:0
Heavy Atom Count:8
Formal Charge:0
Complexity:51.1
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:1
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:1

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