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Cumene

Cumene structure

CAS No:
98-82-8
Formula:
C9H12
Chemical Name:
Cumene
Synonyms:
Benzene,(1-methylethyl)-;Cumene;(1-Methylethyl)benzene;Cumol;Isopropylbenzene;2-Phenylpropane;NSC 8776;i-Propylbenzene
Categories:
Organic Chemistry > Hydrocarbons and Derivatives

Description

Also known as 2-phenylpropane, Isopropylbenzene, or 1-methyl ethyl benzene, 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. The compound is commonly found in Ceylan cinnamon and is a trace ingredient of ginger oil.

Cumene Basic Attributes

Molecular Weight：

120.19200

Exact Mass：

120.19

EC Number：

269-798-8

HScode：

2902700000

Characteristics

PSA：

XLogP3：

2.81000

Appearance：

Cumene appears as a clear colorless liquid with an aromatic odor. Flash point 115°F. Less dense than water and insoluble in water. Vapors heavier than air. May be moderately toxic by inhalation, ingestion and skin absorption.

Density：

0.862 g/cm³ @ Temp: 20 °C

Melting Point：

-96.0 °C

Boiling Point：

152.4 °C @ Press: 760 Torr

Flash Point：

31ºC

Refractive Index：

1.4905-1.4925

Water Solubility：

Soluble in alcohol, ether, acetone, benzene, carbon tetrachloride. Insoluble in water.

Storage Conditions：

2-8ºC

Vapor Pressure：

8 mm Hg ( 20 °C)

Vapor Density：

4.1 (vs air)

Toxicity：

LD50 orally in rats: 2.91 g/kg (Smyth)

Flammability characteristics：

Class IC Flammable Liquid: Fl.P. at or above 73°F and below 100°F.

Explosive limit：

vol% in air: 0.9.5

Odor：

Gasoline-like odor

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 1918

wgk germany：

hazard class code：

R10; R37; R51/53; R65

safety instructions：

S24-S37-S61-S62

RTECS Number：

GR8575000

Marks：

Xn; N

Storage features：

Fireproof. Separated from strong oxidants and acids. Cool. Keep in the dark. Store only if stabilized. Store in an area without drain or sewer access. Provision to contain effluent from fire extinguishing.

Stability/Shelf Life：

Stable, but may form peroxides in storage if in contact with the air. Test for the presence of peroxides before heating or distilling. Combustible. Incompatible with strong oxidizing agents.

Precautionary statement(s)：

P210-P301 + P310-P331-P370 + P378

Hazard Statements：

H226-H304-H335-H411

Cumene Use and Manufacturing

Cumene is an organic synthesis raw material and intermediate. Cumene is used to make other chemicals such as phenol, acetone, acetophenone and methyl styrene. It is used as a thinner for paints, varnishes and enamels. It is an additive to increase the octane number of engine fuels. It is also used in the manufacture of rubber, steel, and pulp and paper.

Computed Properties

Molecular Weight:120.19
XLogP3:3.7
Rotatable Bond Count:1
Exact Mass:120.093900383
Monoisotopic Mass:120.093900383
Heavy Atom Count:9
Complexity:68.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Isopropanol

Benzene

Hydrochloric acid

Chlorosulfonic acid

α-Methylstyrene

Downstream Products

Phenol

Acetone

Cumene hydroperoxide

Price Analysis

Make your Cumene purchase based on the price and market insights! ECHEMI provides professional market insights with prices for you to make a better choice. Learn more on Cumene prices .

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