Name | Cumene |
Synonyms | Cumene 2-Fenilpropano 2-propylbenzene 2-Fenyl-propaan isopropylbenzene benzene,isopropyl Benzene, isopropyl- (Methylethyl)benzene methyl ethyl benzene (1-methylethyl)-benzen (1-methylethyl)benzene (cumene) |
CAS | 98-82-8 |
EINECS | 202-704-5 |
InChI | InChI=1/C9H12/c1-8(2)9-6-4-3-5-7-9/h3-8H,1-2H3 |
InChIKey | RWGFKTVRMDUZSP-UHFFFAOYSA-N |
Molecular Formula | C9H12 |
Molar Mass | 120.19 |
Density | 0.864g/mLat 25°C(lit.) |
Melting Point | −96°C(lit.) |
Boling Point | 152-154°C(lit.) |
Flash Point | 115°F |
Water Solubility | Soluble in alcohol, ether, acetone, benzene, carbon tetrachloride. Insoluble in water. |
Solubility | 0.05g/l |
Vapor Presure | 8 mm Hg ( 20 °C) |
Vapor Density | 4.1 (vs air) |
Appearance | Liquid |
Color | Clear colorless |
Odor | Strong, slightly irritant; fragrant; aromatic. |
Exposure Limit | Flammable liquid; flash point (closed cup)36°C (97°F) (NFPA 1986), 39°C (102°F)(Merck 1996), 35.5°C (96°F) (Meyer 1989);vapor pressure 8 torr at 20°C (68°F); vapordensity 4.1 (air=1); the vapor is hea |
Merck | 14,2617 |
BRN | 1236613 |
pKa | >14 (Schwarzenbach et al., 1993) |
Storage Condition | 2-8°C |
Stability | 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. |
Explosive Limit | 0.8-6.0%(V) |
Refractive Index | n20/D 1.491(lit.) |
Physical and Chemical Properties | Character: colorless liquid. melting point -96 ℃ boiling point 152~154 ℃ relative density 0.8618 refractive index 1.4915 flash point 35 ℃ solubility insoluble in water, soluble in ethanol, ether, benzene and carbon tetrachloride. |
Use | Additives used as raw materials for organic synthesis and to improve the octane number of engine fuels |
Risk Codes | R10 - Flammable R37 - Irritating to the respiratory system R51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R65 - Harmful: May cause lung damage if swallowed R39/23/24/25 - R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R11 - Highly Flammable |
Safety Description | S24 - Avoid contact with skin. S37 - Wear suitable gloves. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S62 - If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S36/37 - Wear suitable protective clothing and gloves. S16 - Keep away from sources of ignition. |
UN IDs | UN 1918 3/PG 3 |
WGK Germany | 1 |
RTECS | GR8575000 |
FLUKA BRAND F CODES | 10 |
TSCA | Yes |
HS Code | 29027000 |
Hazard Class | 3 |
Packing Group | III |
Toxicity | LD50 orally in rats: 2.91 g/kg (Smyth) |
colorless liquid. Melting Point -96 °c. Boiling point 152~154 deg C. The relative density was 0.8618. Refractive index 4915. The critical temperature is 351.4. Critical pressure 3.21MPA flash point (closed cup) 35 ℃. Spontaneous ignition point 500. Viscosity (20 ℃)0. 791MPA. s. Explosive limit (in air) 1.0% to 8.0% by volume. Insoluble in water, soluble in ethanol, ether, benzene and carbon tetrachloride.
from the reaction between benzene and propylene, propylene and benzene are introduced into the alkylation column at a ratio of (0.3 to 0.35) :1, and the reaction temperature is 95 to 100 °c. 3026 ~ 35% of cumene and 10% ~ 15% of polyisopropylbenzene were formed. The reactants are cooled, separated by sedimentation, and the complex is removed for recycling. The hydrocarbon solution is hydrolyzed, neutralized, and separated by distillation to remove ethylbenzene, the purity was more than 98%. The catalyst used for the alkylation reaction is, in addition to the aluminum trichloride used for the liquid phase reaction, also the diatomite-supported H3 PO4, BF3 used for the gas phase reaction.
mainly used for the synthesis of phenol, acetone, also used for the synthesis of other organic chemical products.