Cumene

Organic compound
Collection
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Cumene, also known as cumene, is an organic compound with the chemical formula C nine H twelve , colorless liquid, insoluble in water, soluble in ethanol, ether, benzene, carbon tetrachloride, acetone and other organic solvents, mainly used as solvent, can also be used in organic synthesis.
On October 27, 2017, the list of carcinogens published by the International Agency for Research on Cancer of the World Health Organization (WHO) was preliminarily sorted out for reference, and cumene was included in the list of Class 2B carcinogens. [2]
Chinese name
Cumene
Foreign name
Cumene
Alias
Isopropyl benzene Cumene
chemical formula
C nine H twelve
molecular weight
one hundred and twenty point one nine two
CAS login number
98-82-8
EINECS login number
202-704-5
Melting point
-96 ℃
Boiling point
152 to 154 ℃
Water solubility
Insoluble
Density
0.869 g/cm³
Appearance
colorless liquid
Flash point
31 ℃
Security description
S24;S37;S61;S62
Hazard symbol
Xn;N
Hazard description
R10;R37;R51/53;R65
MDL No
MFCD00008881
RTECS No
GR8575000
BRN No
one million two hundred and thirty-six thousand six hundred and thirteen
PubChem No
twenty-four million eight hundred and sixty-two thousand three hundred and seventy-six

Physical and chemical properties

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Density: 0.864g/cm three
Melting point: - 96 ℃
Boiling point: 152-154 ℃
Flash point: 31 ℃
Refractive index: 1.491 (20 ℃)
Saturated vapor pressure: 2.48kPa (50 ℃)
Critical temperature: 362.7 ℃
Critical pressure: 3.21MPa
Ignition temperature: 424 ℃
Upper explosive limit( V / V ):6.5%
Lower explosive limit( V / V ):0.9%
Appearance: colorless liquid
Solubility: insoluble in water, soluble in ethanol, ether, benzene, carbon tetrachloride, acetone and other organic solvents [1]

Molecular structure data

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Molar refractive index: 40.43
Molar volume (cm three /mol):139.5
Isotonic specific volume (90.2K): 322.3
Surface tension (dyne/cm): 28.4
Dielectric constant (F/m): 2.32
Polarization (10 -24 cm three ):16.03 [1]

Calculate chemical data

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Reference value for drainage parameter calculation (XlogP): None
Number of hydrogen bond donors: 0
Number of hydrogen bond receptors: 0
Number of rotatable chemical bonds: 1
Number of tautomers: 0
Topological molecular polar surface area: 0
Number of heavy atoms: 9
Surface charge: 0
Complexity: 68.1
Number of isotope atoms: 0
Determine the number of atomic structure centers: 0
Number of uncertain atomic structure centers: 0
Determine the number of chemical bond structure centers: 0
Number of uncertain chemical bond structure centers: 0
Number of covalent bond units: 1 [1]

toxicology data

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1. Acute toxicity
LD fifty : 1400mg/kg (rat oral); 12300 μ L (10578mg)/kg (rabbit percutaneous)
LC fifty :15300mg/m three (Inhaled by mice, 2h)
2. Irritation
Rabbit percutaneous: 100mg (24h), moderate irritation.
Rabbit eyes: 500mg (24h), mild irritation.
3. Subacute and chronic toxicity
Rats inhaled 2.5g/m three , 8 hours a day, 6 days a week, 150 days in total, and obvious congestion of lung, liver and kidney can be seen.
4. Mutagenicity
Microbial mutagenesis: Salmonella typhimurium 100 μ g/plate (3h). [1]

Ecological data

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1. Ecotoxicity
LC fifty : 6.32mg/L (96h)
2. Biodegradability
MITI-I test showed that the initial concentration was 100ppm, the sludge concentration was 30ppm, and the degradation rate was 26.1%~40% after 2 weeks.
3. Non biodegradable
In the air, when the concentration of hydroxyl radical is 5.00 × 10 five Pcs/cm three The half-life of degradation is 2.5d (theoretical).
4. Bioaccumulation
BCF: 35.5 (goldfish, exposure concentration 1mg/L) [1]

purpose

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It is mainly used as solvent and can also be used in organic synthesis.

Storage method

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Store in a cool and ventilated warehouse. Keep away from kindling and heat sources. The warehouse temperature should not exceed 37 ℃. Keep container sealed. It shall be stored separately from oxidant and shall not be mixed. Explosion proof lighting and ventilation facilities shall be adopted. It is prohibited to use mechanical equipment and tools that are easy to generate sparks. The storage area shall be equipped with leakage emergency treatment equipment and appropriate materials.

security information

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Safety terminology

S24:Avoid contact with skin.
Avoid skin contact.
S37:Wear suitable gloves.
Wear appropriate gloves.
S61:Avoid release to the environment. Refer to special instructions/Safety data sheets.
Avoid releasing into the environment, refer to special instructions/safety receipt instructions.
S62:If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label.
Do not induce vomiting after swallowing: seek medical advice immediately and show the container or label.

Risk terminology

R10:Flammable.
Flammable.
R37:Irritating to respiratory system.
Irritating to the respiratory system.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
It is toxic to aquatic organisms and may cause long-term adverse effects in the aquatic environment.
R65:Harmfull may cause lung damage if swallowed.
Harmful: May cause lung damage if swallowed.