PRODUCTS

CUMENE

Cumene is a widely used alkylbenzene that serves as an essential feedstock in petrochemical production.
Cumene's combination of aromatic structure and reactive isopropyl group makes it valuable for conversion into several important industrial chemicals.
Beyond phenol and acetone manufacture, cumene is also relevant in resin, solvent, and specialty chemical applications.

CAS Number: 98-82-8
EC Number: 202-704-5
Molecular Formula: C9H12
Molecular Weight: 120.20 g/mol

Synonyms: CUMENE, Isopropylbenzene, 98-82-8, 2-Phenylpropane, (1-Methylethyl)benzene, Cumol, Benzene, (1-methylethyl)-, Isopropylbenzol, Cumeen, Isopropilbenzene, Isopropylbenzeen, 2-Fenilpropano, 2-Fenyl-propaan, (propan-2-yl)benzene, Isopropyl-benzol, Benzene, isopropyl, Propane, 2-phenyl, Propan-2-ylbenzene, RCRA waste number U055, Phenol bottoms, DTXSID1021827, ISOPROPYL BENZENE, 8Q54S3XE7K, NSC-8776, DTXCID101827, CHEBI:34656, 2-Phenyl propane, RefChem:5710, 202-704-5, i-propylbenzene, (Methylethyl)benzene, Isopropylbenzen, NSC 8776, Benzene, isopropyl-, Propane, 2-phenyl-, MFCD00008881, 101316-43-2, (1-methylethyl)-benzen, Cumeen [Dutch], Isopropylbenzene standard solution, Isopropylbenzeen [Dutch], isopropyl-benzene, 2-Fenilpropano [Italian], 2-Fenyl-propaan [Dutch], Isopropyl-benzol [German], Isopropilbenzene [Italian], 4-isopropylbenzene, HSDB 172, Benzene, 1-methylethyl-, EINECS 202-704-5, UN1918, RCRA waste no. U055, cumen, UNII-8Q54S3XE7K, AI3-04630, CCRIS 9455, (1-methylethyl)benzene (cumene), 2-phenyl-propane, I-Propyl-Benzene, Benzene, i-propyl-, Propane-2-yl-benzene, 1-Methylethyl-Benzene, Benzene,isopropyl cumol, Cumene, 98%, A1ATB, Isopropyl-benzol(german), (1-methylethyl)-benzene, CUMENE [HSDB], CUMENE [IARC], CUMENE [USP-RS], CUMENE [MI], Iso-propylbenzene (cumene), 1-Methylethylbenzene, 9CI, Cumene, analytical standard, EC 202-704-5, Isopropylbenzene [UN1918] [Flammable liquid], SCHEMBL6567, SCHEMBL6568, SCHEMBL21459, SCHEMBL42818, SCHEMBL95729, SCHEMBL96104, CUMENE (CUMENE HYDROPEROXIDE (80-15-9)), MLS002454396, BIDD:ER0700, SCHEMBL316110, SCHEMBL688558, SCHEMBL832620, SCHEMBL930286, SCHEMBL1233149, SCHEMBL1517603, SCHEMBL1776073, SCHEMBL1776748, SCHEMBL1870280, SCHEMBL2088988, SCHEMBL4133635, SCHEMBL5350771, SCHEMBL7644770, SCHEMBL8535493, SCHEMBL9563390, SCHEMBL9581136, CHEMBL1398949, SCHEMBL11254813, BENZENE,ISOPROPYL CUMOL, NSC8776, WLN: 1Y1 & R, HMS3039J15, EAA01954, Tox21_202503, MSK000664, SBB040817, Diisopropylbenzene(mixture of isomers), AKOS000269066, UN 1918, CAS-98-82-8, MSK000664-1000M, NCGC00091155-01, NCGC00260052-01, SMR001372007, Cumene, PESTANAL(R), analytical standard, Isopropylbenzene 10 microg/mL in Methanol, DB-370622, Isopropylbenzene 100 microg/mL in Methanol, NS00005736, S0652, ST50214393, EN300-19973, Isopropylbenzene [UN1918] [Flammable liquid], F094649, Isopropylbenzene Solution in Methanol, 1000ug/mL, Q410107, F0001-2320, Cumene, United States Pharmacopeia (USP) Reference Standard, InChI=1/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H, Cumene, Pharmaceutical Secondary Standard; Certified Reference Material, (1-Methylethyl)benzene, (propan-2-yl)benzene, 101316-43-2, 1236613, 2-Phenyl propane, 2-Phenylpropane, 202-704-5, 98-82-8, Benzene, (1-methylethyl)-, Benzene, isopropyl-, Cumene, Isopropyl-benzol, Isopropylbenzen, Isopropylbenzene, Isopropylbenzène, Isopropylbenzol, methyl-ethyl-benzene, METHYLETHYLBENZENE, propan-2-ylbenzene, Propane, 2-phenyl-, (1-methylethyl)-benzen, (1-methylethyl)-Benzene, (methylethyl)benzene, 1-Methylethyl-Benzene, 16804-70-9, 168N15, 1823-91-2, 2-Fenilpropano, 2-Fenilpropano, 2-Fenyl-propaan, 2-Phenyl-d5-propane, 2-Phenyl-Propane, 2-Phenylpropane, Isopropylbenzene, 2-Phenylpropane-1,1,1,2,3,3,3-d7, 2-Phenylpropane-1,1,1,3,3,3-d6, 2-Phenylpropane-2-d1, 2-Phenylpropane-d12, 2-phenylpropiononitrile, 20201-28-9, 20201-29-0, 4-isopropyl benzene, 4-isopropylbenzene, 4019-54-9, 666U, 686E, 97095-85-7, 97732-82-6, 99%, Adion H, Afcolene, Afcolene S 100, Bactolatex, BASF III, BENZENE, (1-METHYLETHYL)-, DISTN RESIDUES, Benzene, (1-methylethyl)-, oxidized, cumene residues, methylstyrene fraction, Benzene, 1-methylethyl-, Benzene, i-propyl-, Benzene, isopropyl, Benzene,(1-methylethyl)-, oxidized, polyphenyl residues, Benzene-1,2,3,4,5-d5,6-[1-(methyl-d3)ethyl-1,2,2,2-d4]-, Bextrene XL 750, Bicolene H, BP-Kl, BP-Klp, Bustren, Bustren K 500, Bustren K 525-19, Bustren U 825, Bustren Y 825, Carinex GP, Carinex HR, Carinex HRM, Carinex SB 59, Carinex SB 61, Carinex SL 273, Copal Z, Cumeen, Cumene-isopropyl-d7, CUMOL, Denka QP3, Diarex 43G, Diarex HF 55, Diarex HF 55-247, diarex hf 77, Diarex HS 77, Diarex HT 190, Diarex HT 500, Diarex HT 88, Diarex HT 88A, Diarex HT 90, Diarex YH 476, Dorvon, Dorvon FR 100, Dylene, Dylene 8G, Dylite F 40, Edistir RB, Esbrite, Esbrite G 10, Esbrite G-P 2, Esbrite LBL, Estyrene G 15, Estyrene G 20, Estyrene G-P 4, Estyrene H 61, Ethylium,1-methyl-1-phenyl-, Foster grant 834, Gedex, HI-Styrol, Hostyren N, Hostyren S, Hydratroponitrile, I-Propyl-Benzene, i-Propylbenzene, Isopropilbenzene, isopropyl benzene, Isopropyl-benzene, Isopropyl-benzol, ISOPROPYL-D7-BENZENE, Isopropylbenzeen, Isopropylbenzene;Cumene, KB (Polymer), KM (Polymer), Krasten 1.4, Krasten SB, Lustrex, Lustrex H 77, Lustrex HH 101, Lustrex HP 77, Lustrex HT 88, MFCD00084450, NaPst, Owispol GF, pBSB-S 40, Phenol bottoms, Piccolastic, Piccolastic D-100, Propane, 2-phenyl, α-Methylbenzylcyanide, α-Methylphenylacetonitrile, 异丙苯

Cumene is used in the production of phenol and acetone.
Cumene is used as a thinner for paints, lacquers, and enamels and as a component of high octane fuels.
Cumene is used in the manufacture of phenol, acetone, acetophenone, and methylstyrene.

Cumene is an organic compound that contains a benzene ring with an isopropyl substituent.
Cumene is a constituent of crude oil and refined fuels.

Cumene is a flammable colorless liquid that has a boiling point of 152 °C.
Nearly all the cumene that is produced as a pure compound on an industrial scale is converted to cumene hydroperoxide, which is an intermediate in the synthesis of other industrially important chemicals, primarily phenol and acetone (known as the cumene process).

Cumene is an aromatic hydrocarbon consisting of a benzene ring substituted with an isopropyl group.
Cumene is a clear, colorless liquid with a characteristic aromatic odor and is produced mainly from benzene and propylene.

Cumene is an important industrial intermediate, especially in the manufacture of phenol and acetone through the cumene process.
Cumene appears as a clear colorless liquid with an aromatic odor.

Cumene is less dense than water and insoluble in water.
Cumene's vapors heavier than air.

Cumene is an aromatic hydrocarbon that is volatile, colorless liquid and has a smell similar to gasoline.
Cumene is a natural component of crude oil, coal tar, and can be utilized as a blending component in gasoline.
Cumene is commonly found in Ceylan cinnamon and is a trace ingredient of ginger oil.

Cumene is a common name for isopropylbenzene, an organic compound.
Cumene is a volatile colorless liquid at room temperature with a characteristic sharp, penetrating, aromatic odor.

Cumene is insoluble in water but is soluble in alcohol and many other organic solvents.
Cumene is structurally a member of the alkyl aromatic family of hydrocarbons, which also includes toluene (methylbenzene) and ethylbenzene.

Cumene can be found in crude oil, refined fuels, and is a part of processed highoctane gasoline.
Cumene is manufactured by reacting benzene with propylene at elevated temperature and pressure in the presence of a catalyst.

Cumene is considered an environmental pollutant because it is a natural component of petroleum and is present in tobacco smoke.
Cumene vapor can be absorbed by the respiratory tract.

Sufficiently high levels of exposure to cumene causes central nervous system (CNS) depression leading to death, internal bleeding of numerous organs, as well as irritation of the eyes and respiratory system, skin, and mucous membranes.
Cumene is a high production volume chemical.

Cumene is defined as an intermediate in the production of phenol and acetone, historically used as a blending component in gasoline and synthesized through processes that utilize catalysts, such as sulfuric acid and zeolites, to facilitate its chemical reactions.

Cumene is used in research focused on polymer monolayers and polystyrene nanocapsules.
In industrial contexts, Cumene is a key ingredient in the production of phenol,methylstyrene, and acetone.

Cumene's applications encompass its use as a solvent for paints, lacquers, and enamels, as well as an essential component in high octane fuels.
Cumene is recognized as a contaminant of emerging concern (CECs).

Cumene is defined as a water-insoluble petrochemical used in the manufacture of phenol and acetone, which volatilizes into the atmosphere and strongly adsorbs to soils.
Cumene is metabolized primarily to 2-phenyl-2-propanol in humans and animals.

Cumene is an aromatic hydrocarbon obtained by the alkylation of benzene with propylene.
Cumene is fundamental in the chemical value chain, as it acts as a key intermediate in the production of phenol and acetone, two products that are significant in the industry Thanks to its versatility, cumene is integrated into processes that drive innovation in multiple sectors.

Cumene is a colorless, volatile liquid with a gasoline-like odor.
Cumene is a natural component of coal tar and crude oil, and also can be used as a blending component in gasoline.

Applications of Cumene:
Cumene plays a strategic role in modern industry.
Cumene's main purpose is to be transformed into cumene hydroperoxide, an essential intermediate for the synthesis of phenol and acetone, which in turn are key compounds in the manufacture of plastics, resins, and coatings.
Cumene is also used to produce surfactants, propylene oxide, and as an additive for gasolines.

Cumene is frequently found as an ingredient in thread locking fluids.
Cumene is also a precursor chemical to the herbicide isoproturon.

Cumene is used as a thinner for paints, lacquers, and enamels and as a component of high octane fuels.
Cumene is also used in the manufacture of phenol, acetone, acetophenone, and methylstyrene.

In occupational settings, the main route of exposure to cumene is via inhalation during cumene manufacturing, processing, and use, primarily in the manufacture of phenol and acetone. [ACGIH]
Used primarily in the production of phenol and acetone.

Used as a thinner for paints, enamels, and lacquers and as a solvent for fats and resins and as such has been suggested as a replacement for benzene.
In manufacture of acetophenone and 2-methylstyrene.

Cumene can be used in the synthesis of:
Diisopropylbenzenes via disproportionation reaction by zeolite catalysts.
Cumene hydroperoxide, a key precursor for many organic fine chemicals.
4-Nitro cumene using nitric acid/ MoO3/SiO2 as a catalyst.

Uses of Cumene:
Cumene is primarily used as an industrial intermediate in the production of phenol and acetone through the cumene process.
Cumene is also used as a raw material in the manufacture of alpha-methylstyrene, specialty resins, coatings, and other organic chemicals.
Cumene can additionally serve as a solvent or process component in selected chemical manufacturing applications.

A building-block chemical, almost all cumene (approximately 98 percent) is consumed as a chemical intermediate in the production of phenol and acetone, two chemicals that are widely used to make plastics.

Additionally, cumene in minor amounts is used as a solvent during the manufacture of paints, lacquers, and enamels.
Cumene by itself is not generally sold for consumer use.

Industrial Use:
Cumene is utilized in the production of phenol or its product, acetone that is widely used in the manufacture of plastics and petroleum products.
Cumene is also used in the production of methyl styrene and acetophenone as well as a thinner in lacquers, paints, and enamels.
In addition, Cumene is used as a solvent in the manufacture of iron, rubber, and steel as well as paper and pulp.

Pharmaceutical Use:
Cumene hydroperoxide produces oxidative stress in the various steps of protein synthesis.
Cumene hydroperoxide is used to probe isoenzyme specificity as well as region-and stereoselectivity.

Industry Uses:
Solvent
Other
Lubricating agent
Fuel
Fuel agents
Not Known or Reasonably Ascertainable
Intermediate

Consumer Uses:
Not Known or Reasonably Ascertainable
Intermediate
Other
Lubricating agent
Fuel
Fuel agents

Chemical Properties of Cumene:
Cumene is a colorless liquid.
Sharp, penetrating, aromatic odor, like gasoline.

Cumene is nearly insoluble in water but is soluble in alcohol and many other organic solvents (Windholz, 1983).
Structurally, cumene is a member of the alkyl aromatic family of hydrocarbons, which also includes toluene (methylbenzene) and ethylbenzene.

Cumene is a natural component of crude oil.
Cumene occurs in cigarette smoke and naturally in the environment in plants.
Cumene is an important industrial intermediate in the manufacture of phenolic and polycarbonate resins，nylon and epoxy and is conventionally produced by the Friedel Crafts alkylation of benzene with propylene.

Occurrence of Cumene:
Cumene is a naturally occurring constituent of crude oil and may be released to the environment from a number of anthropogenic sources, including processed hydrocarbon fuels.
Crude oils typically contain approximately 0.1 wt% of cumene, but concentrations as high as 1.0 wt% have been reported.

Measurements of various grades of petrol revealed that cumene concentrations range from 0.14 to 0.51 vol% and that the average cumene concentration was 0.3 vol%.
Premium diesel fuel contains 0.86 wt% of cumene; furnace oil (no. 2) contains 0.60 wt%.

Production of Cumene:
Commercial production of cumene is by Friedel–Crafts alkylation of benzene with propylene.
The original route for manufacturing of cumene was by alkylation of benzene in the liquid phase using sulfuric acid as a catalyst, but because of the complicated neutralization and recycling steps required, together with corrosion problems, this process has been largely replaced.
As an alternative, solid phosphoric acid (SPA) supported on alumina has been used as the catalyst.

Since the mid-1990s, commercial production has switched to zeolite-based catalysts.
In this process, the efficiency of cumene production is generally 70–75%.

The remaining components are primarily polyisopropyl benzenes.
In 1976, an improved cumene process that uses aluminum chloride as a catalyst was developed.
The overall conversion of cumene for this process can be as high as 90%.

The addition of two equivalents of propylene gives diisopropylbenzene (DIPB).
Using transalkylation, DIPB is comproportionated with benzene to give cumene.

Autoxidation of Cumene:
Depending on the conditions, autoxidation of cumene gives dicumyl peroxide or cumene hydroperoxide.
Both reactions exploit the weakness of the tertiary C–H bond.

The tendency of cumene to form peroxides by autoxidation poses safety concerns.
Tests for peroxides are routinely conducted before heating or distilling.

Stability and Reactivity of Cumene:

Chemical Stability:
Stable under normal recommended storage and handling conditions.

Reactivity:
Vapors may form flammable mixtures with air; avoid conditions that may promote ignition or peroxide formation during prolonged storage.

Conditions to Avoid:
Heat, sparks, open flames, hot surfaces, and static discharge.

Incompatible Materials:
Strong oxidizing agents.

Hazardous Decomposition Products:
Combustion may produce carbon monoxide, carbon dioxide, and irritating fumes.

Handling and Storage of Cumene:

Safe Handling:
Use only with adequate ventilation and avoid breathing vapor or mist.
Keep away from ignition sources and use non-sparking, grounded equipment where appropriate.

Storage Conditions:
Keep the container tightly closed in a cool, well-ventilated area away from heat and incompatible materials.

First Aid Measures of Cumene:

Inhalation:
Move the affected person to fresh air and seek medical attention.

Skin Contact:
Remove contaminated clothing and rinse the skin thoroughly with water.

Eye Contact:
Rinse carefully with plenty of water and obtain medical attention if irritation persists.

Ingestion:
Do not induce vomiting; seek immediate medical attention because aspiration into the lungs may occur.

Firefighting Measures of Cumene:

Suitable Extinguishing Media:
Use carbon dioxide, dry chemical powder, or suitable foam.

Specific Hazards:
Cumene is a flammable liquid and its vapors may ignite or form explosive mixtures with air.

Protective Equipment:
Firefighters should wear full protective equipment and self-contained breathing apparatus.

Accidental Release Measures of Cumene:

Personal Precautions:
Remove ignition sources, ensure adequate ventilation, and wear suitable protective equipment.

Environmental Precautions:
Prevent the material from entering drains, waterways, or soil.

Cleanup Methods:
Absorb the spill with inert material and transfer it to a suitable closed container for disposal using non-sparking tools.

Exposure Controls/Personal Protection of Cumene:

Engineering Controls:
Provide adequate general or local exhaust ventilation.

Eye Protection:
Wear chemical safety glasses or goggles.

Hand Protection:
Wear suitable chemical-resistant gloves.

Skin Protection:
Wear appropriate protective clothing.

Respiratory Protection:
Use suitable respiratory protection when ventilation is insufficient or vapor concentrations may become elevated.

Identifiers of Cumene:
Product Number: C0687
Purity / Analysis Method: >99.0%(GC)
Molecular Formula / Molecular Weight: C9H12 = 120.20
Physical State (20 deg.C): Liquid
Storage Temperature: Room Temperature (Recommended in a cool and dark place, <15°C)
CAS RN: 98-82-8
Reaxys Registry Number: 1236613
PubChem Substance ID: 87565774
SDBS (AIST Spectral DB): 1816
Merck Index (14): 2617
MDL Number: MFCD00008881

CAS Number: 98-82-8
EC: 202-704-5
FDA UNII: 8Q54S3XE7K
Nikkaji Web: J3.581E
Beilstein Number: 1236613
MDL: MFCD00008881
XlogP3: 3.70 (est)
Molecular Weight: 120.19464000
Formula: C9 H12

CAS: 98-82-8
IUPAC Name: (propan-2-yl)benzene
Molecular Formula: C9H12
InChI Key: RWGFKTVRMDUZSP-UHFFFAOYSA-N
SMILES: CC(C)C1=CC=CC=C1
Molecular Weight (g/mol): 120.20

Linear Formula: C6H5CH(CH3)2
CAS Number: 98-82-8
Molecular Weight: 120.19
UNSPSC Code: 12352100
NACRES: NA.22
PubChem Substance ID: 24893103
EC Number: 202-704-5
Beilstein/REAXYS Number: 1236613
MDL number: MFCD00008881
Assay: 98%
Form: liquid

CAS Number: 98-82-8
Beilstein Reference: 1236613
ChEBI: CHEBI:34656
ChEMBL: ChEMBL1398949
ChemSpider: 7128
ECHA InfoCard: 100.002.458
EC Number: 202-704-5
KEGG: C14396
PubChem CID: 7406
RTECS number: GR8575000
UNII: 8Q54S3XE7K
UN number: 1918
CompTox Dashboard (EPA): DTXSID1021827
InChI: InChI=1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
Key: RWGFKTVRMDUZSP-UHFFFAOYSA-N
InChI=1/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
Key: RWGFKTVRMDUZSP-UHFFFAOYAJ
SMILES: CC(C)c1ccccc1

Properties of Cumene:
Chemical formula: C9H12
Molar mass: 120.195 g·mol−1
Appearance: Colorless liquid
Odor: Sharp, gasoline-like
Density: 0.862 g cm−3, liquid
Melting point: −96 °C (−141 °F; 177 K)
Boiling point: 152 °C (306 °F; 425 K)
Solubility in water: negligible
Solubility: soluble in acetone, ether, ethanol
Vapor pressure: 4.5 mmHg (25 °C)[2]
Magnetic susceptibility (χ): −89.53·10−6 cm3/mol
Refractive index (nD): 1.4915 (20 °C)
Viscosity: 0.777 cP (21 °C)

Molecular Weight: 120.19 g/mol
XLogP3: 3.7
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Rotatable Bond Count: 1
Exact Mass: 120.093900383 Da
Monoisotopic Mass: 120.093900383 Da
Topological Polar Surface Area: 0 Å²
Heavy Atom Count: 9
Complexity: 68.1
Isotope Atom Count: 0
Computed by PubChem
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
Compound Is Canonicalized: Yes

Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity: 0.86400 @ 25.00 °C.
Refractive Index: 1.48460 @ 20.00 °C.
Boiling Point: 152.00 to 153.00 °C. @ 760.00 mm Hg
Vapor Pressure: 4.500000 mmHg @ 25.00 °C.
Flash Point: 115.00 °F. TCC ( 46.11 °C. )
logP (o/w): 3.660

vapor density: 4.1 (vs air)
Quality Segment: 200
vapor pressure: 8 mmHg ( 20 °C), 9.7 mmHg ( 37.7 °C)
assay: 98%
form: liquid
autoignition temp.: 797 °F
expl. lim.: 6.5 %
refractive index: n20/D 1.491 (lit.)
bp: 152-154 °C (lit.)
mp: −96 °C (lit.)
density: 0.864 g/mL at 25 °C (lit.)
functional group: phenyl
SMILES string: CC(C)c1ccccc1
InChI: 1S/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChI key: RWGFKTVRMDUZSP-UHFFFAOYSA-N

Melting Point: -96 °C
Boiling Point: 155 °C
Flash point: 34 °C
Specific Gravity (20/20): 0.86
Refractive Index: 1.49
Solubility in water: Insoluble
Degree of solubility in water: 61.3 mg/l 25 °C

Specifications of Cumene:
Form: Liquid
Refractive Index: 1.4895-1.4925 @ 20?C
Identification (FTIR): Conforms
Assay (GC): ≥98.5%
Appearance (Color): Clear colorless

Related Compounds of Cumene:
ethylbenzene
toluene
benzene

Names of Cumene:

Preferred IUPAC name:
(Propan-2-yl)benzene

Other names:
Isopropylbenzene
Cumol
(1-Methylethyl)benzene