Product
Supplier
Encyclopedia
Inquiry
Home > Encyclopedia > Bis(1-methylethyl)benzene

Bis(1-methylethyl)benzene

Bis(1-methylethyl)benzene structure

Bis(1-methylethyl)benzene 

structure
  • CAS No:

    25321-09-9

  • Formula:

    C12H18

  • Chemical Name:

    Bis(1-methylethyl)benzene

  • Synonyms:

    Benzene,bis(1-methylethyl)-;Benzene,diisopropyl-;Bis(1-methylethyl)benzene;Diisopropylbenzene;Bis(isopropyl)benzene

  • Categories:

    Organic Chemistry  >  Hydrocarbons and Derivatives

Description

clear colorless liquid


Diisopropylbenzene (all isomers) is a clear amber liquid with a sharp, penetrating odor. A mixture of three isomers (ortho, meta, and para).|Liquid|COLOURLESS LIQUID WITH PUNGENT ODOUR.


Diisopropylbenzene (all isomers) is a clear amber liquid with a sharp, penetrating odor. A mixture of three isomers (ortho, meta, and para).

Bis(1-methylethyl)benzene Basic Attributes

162.27

162.14100

246-835-6

6E5460R9HG

1714

3082

DTXSID0027858

Clear, colorless liquid

2902909090

Characteristics

0

4.2

clear colorless liquid

0.85

-40 °C

205 °C

71 °C

1.488-1.491

Solubility in water at 25°C: poor

0.278mmHg at 25°C

Relative vapour density (air = 1): 5.6

HLB /Hydrophile-Lipophile Balance/ Value: 15|Henry's Law Constant 0.0204 atm-cu m/mole (est)|Koc= 4000(est)

Insoluble in water.

Hydrocarbons, Aromatic

Vigorous reactions, sometimes amounting to explosions, can result from the contact between aromatic hydrocarbons, such as DIISOPROPYLBENZENE (ALL ISOMERS), and strong oxidizing agents. Can react exothermically with bases and with diazo compounds. Substitution at the benzene nucleus occurs by halogenation (acid catalyst), nitration, sulfonation, and the Friedel-Crafts reaction.

840 °F (USCG, 1999)|840 °F|449 °C

Safety Information

III

9

3082

10-37-51/53-65

24/25-62-61-37-24

CZ6330000

Xn,N

Provision to contain effluent from fire extinguishing. Keep in a well-ventilated room. Store in an area without drain or sewer access.

P210, P260, P273, P280, P314, P370+P378, P391, P403+P235, P501

H227

... Can react with oxidizing materials.

Special Hazards of Combustion Products: Vapors may travel considerable distance to an ignition source and flash back. (USCG, 1999)|Combustible. Above 77 °C explosive vapour/air mixtures may be formed.

H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]|P273, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory.| |Warning|H315 (98.2%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P273, P280, P302+P352, P321, P332+P313, P362, and P501|Aggregated GHS information provided by 167 companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H227: Combustible liquid [Warning Flammable liquids]|P210, P260, P280, P314, P370+P378, P403+P235, and P501

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: As an immediate precautionary measure, isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids. SPILL: Increase, in the downwind direction, as necessary, the isolation distance shown above. 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. (ERG, 2016)

Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent dust cloud. Avoid inhalation of asbestos dust. SMALL DRY SPILL: With clean shovel, place material into clean, dry container and cover loosely; move containers from spill area. SMALL SPILL: Pick up with sand or other non-combustible absorbent material and place into containers for later disposal. LARGE SPILL: Dike far ahead of liquid spill for later disposal. Cover powder spill with plastic sheet or tarp to minimize spreading. Prevent entry into waterways, sewers, basements or confined areas. (ERG, 2016)

Gloves impervious to aromatic hydrocarbon and splash-proof safety goggles. Approved organic cartridge respirator for exposure below 1,000 ppm. Full face piece is required above 500 ppm. Self-contained breathing apparatus or air supplied respirators above 1000 ppm. Clothing impervious to aromatic hydrocarbon. (USCG, 1999)

Moderate, when exposed to heat or flame.

Foam, carbon dioxide, dry chemical, water spray or mist.

/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. 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. /Isopropylbenzene/|/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. /Isopropylbenzene/|/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. /Isopropylbenzene/|/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. /Isopropylbenzene/|For more DOT Emergency Guidelines (Complete) data for 1,2-DIISOPROPYLBENZENE (8 total), please visit the HSDB record page.

Remove all ignition sources. Do NOT let this chemical enter the environment. Ventilation. Collect leaking liquid in covered containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Provision to contain effluent from fire extinguishing. Keep in a well-ventilated room. Store in an area without drain or sewer access.

No indication can be given about the rate at which a harmful concentration of this substance in the air is reached.

Exposure at high levels could cause lowering of consciousness.

NO open flames. Above 77 °C use a closed system and ventilation.

PREVENT GENERATION OF MISTS!

Use ventilation.

Protective gloves.

Wear safety spectacles.

m- and p-Diisopropylbenzene were qualitatively detected in water samples collected from advanced waste treatment facilities in Pomona, CA (Jun 17, 1975) and Lake Tahoe, CA (Oct 24, 1974)(1). Diisopropylbenzene was detected in the wastewater effluent from a chemical manufacturing facility in LA (concn, site or date not reported)(2).

Toxicity

Diisopropylbenzene is reported to occur in coal(1).

Diisopropylbenzene occurs in large amounts in the high-boiling fractions of cumene production facilities(1) and can therefore be released in waste streams and fugitive emissions associated with cumene production. Distillate fractions containing diisopropylbenzene can be blended into gasoline, diesel and other hydrocarbon fuels(2); therefore, evaporation or incomplete combustion of these fuels can release diisopropylbenzene into the atmosphere. Diisopropylbenzene and its individual isomers are used in solvents and as feedstock for making other chemicals(1-3) which can result in their release to the environment through evaporation and manufacturing waste streams(SRC).

TERRESTRIAL FATE: Based upon an estimated Koc value of 4000(1), diisopropylbenzene is expected to be relatively immobile in soil(SRC). Insufficient data are available to predict the rates or importance of soil degradation processes(SRC).|AQUATIC FATE: Volatilization and adsorption to sediment may be important transport processes in water for diisopropylbenzene. Volatilization half-lives of 3.8 and 45 hours can be estimated for a model river (1 meter deep) and model pond (2 meters deep), respectively, when the effects of adsorption are not present(1-2); in the presence of adsorption (Koc of 4000), the volatilization half-life from the pond increases to 27 days(2). Based upon an estimated Koc of 4000(3), diisopropylbenzene may partition from the water column to sediment and suspended material. Insufficient data are available to predict the importance of biodegradation(SRC).|ATMOSPHERIC FATE: Based upon vapor pressures of 0.25 to 0.39 mm Hg at 25 °C(1), the diisopropylbenzene isomers are expected to exist almost entirely in the vapor-phase in the ambient atmosphere(2). Diisopropylbenzene will degrade in an average ambient atmosphere by reaction with photochemically produced hydroxyl radicals (estimated half-life of 30 hours)(3,SRC).

The rate constant for the vapor-phase reaction of diisopropylbenzene with photochemically produced hydroxyl radicals has been estimated to be about 1.3X10-11 cu cm/molecule-sec at 25 °C which corresponds to an atmospheric half-life of about 30 hrs at an atmospheric concn of 5X10+5 hydroxyl radicals per cu cm(1). Benzenes are generally resistant to aqueous environmental hydrolysis(2), therefore, diisopropylbenzene is not expected to hydrolyze in the environment(SRC).

The log BCF (bioconcentration factor) of the o- and m-isomers of diisopropylbenzene was experimentally measured to be 2.11-2.14(1) in goldfish. This suggests that some bioconcentration may occur in aquatic organisms(SRC).

Using a structure estimation method based on molecular connectivity indexes, the Koc for diisopropylbenzene can be estimated to be about 4000(1). This estimated Koc indicates that diisopropylbenzene will be relatively immobile in soil(2,SRC).

The Henry's Law constant for diisopropylbenzene can be estimated(SRC) to be 0.0204 atm-cu m/mole using a structure estimation method(1). This value of Henry's Law constant indicates rapid volatilization from water(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep flowing 1 m/sec with a wind velocity of 3 m/sec) can be estimated(SRC) to be about 3.8 hours(2). The volatilization half-life from a model environmental pond can be estimated to be about 45 hours if the effect of adsorption to sediment is ignored(3); if the effect of adsorption to sediment is predicted from an estimated Koc of 4000(4), the estimated volatilization half-life from the pond increases to about 27 days(3,SRC).

DRINKING WATER: p-Diisopropylbenzene was qualitatively detected in drinking water samples collected from treatment facilities in Philadelphia, PA (Feb 10, 1976), Ottumwa, IO (Sep 10, 1976), and Seattle, WA (Nov 5, 1976)(1).|ISOMERS IMPART A SPECIFIC SMELL TO WATER BUT HAVE NO SIGNIFICANT EFFECT ON SANITATION OF WATER BODIES. HYGIENIC STANDARD LEVEL FOR BOTH SUBSTANCES IN WATER SHOULD BE SET @ LEVEL OF 0.05 MG/LITER.

The general population will be exposed to diisopropylbenzene through inhalation and dermal contact from hydrocarbon fuels, such as gasoline, which contain diisopropylbenzene. Occupational exposure will occur through dermal contact and inhalation. (SRC)

Drug Information

Vapors and liquid are irritating to eyes, mucous membrane, and upper respiratory tract and can cause headache, narcosis and unconsciousness. Systemic effects can have a relatively long duration after exposure. Ingestion can be moderately to severely toxic. Liquid can cause defatting of skin and dermititis. (USCG, 1999)

INHALATION: Call for medical aid. Remove the victim to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. INGESTION: Do not induce vomiting. EYES: Flush with lots of running water for 15 minutes, lifting lower and upper lids occasionally. SKIN: Wash with soap and water. Remove contaminated clothing. (USCG, 1999)


Fresh air, rest.


Rinse and then wash skin with water and soap.


Rinse with plenty of water (remove contact lenses if easily possible).

diisopropylbenzene

Headache. Drowsiness.

Bis(1-methylethyl)benzene Use and Manufacturing

Methods of Manufacturing

By-product of cumene production /Diisopropylbenzenes/|By alkylation /of benzene/ using a silica - alumina catalyst. ... Isomers can be separated by fractionation.

Uses

Fuels and fuel additives|Intermediates


Fuels and related products

Production

500,000 - 1,000,000 lb|100,000 - 500,000 lb

Diisopropylbenzene ... occurs in three isomeric forms, namely as the ortho, the meta, and the para derivatives, all being flammable liquids.

Cyclic crude and intermediate manufacturing|Benzene, bis(1-methylethyl)-: ACTIVE|Petroleum refineries|Benzene, 1,2-bis(1-methylethyl)-: ACTIVE|Diisopropylbenzene ... occurs in three isomeric forms, namely as the ortho, the meta, and the para derivatives, all being flammable liquids.

Computed Properties

Molecular Weight:162.27
XLogP3:4.2
Rotatable Bond Count:2
Exact Mass:162.140850574
Monoisotopic Mass:162.140850574
Heavy Atom Count:12
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Downstream Products

Recommended Suppliers of Bis(1-methylethyl)benzene

Scan the QR Code to Share

Feedback & Suggestions
Send Message

Thank you for your feedback. If you require further assistance, please contact us by email at info@echemi.com or call us at +86-532-55729510.