Cyclopentanone

Organic compound

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This entry is made by Compilation and application of scientific encyclopedia entries of "Science Popularization China" to examine.

Cyclopentanone is an organic compound with chemical formula C five H eight O， It is a colorless liquid, insoluble in water, soluble in most organic solvents such as ethanol, ether, acetone, etc. It is mainly used as an intermediate for pharmaceuticals, biological products, pesticides and synthetic rubber.

Chinese name: Cyclopentanone
Foreign name: Cyclopentanone
chemical formula: C five H eight O
molecular weight: eighty-four point one one eight
CAS login number: 120-92-3
EINECS login number: 204-435-9
Melting point: -51 ℃

Boiling point: 130 to 131 ℃
Water solubility: Insoluble
Density: 0.951 g/cm³
Appearance: colorless liquid
Flash point: 30.5 ℃ （CC）
Security description: S23
Hazard symbol: Xi
Hazard description: R10；R36/38

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Physical and chemical properties

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Density: 0.951g/cm three

Melting point: - 51 ℃

Boiling point: 130-131 ℃

Flash point: 30.5 ℃ (CC)

Critical pressure: 5.2MPa

Refractive index: 1.437 (20 ℃)

Saturated vapor pressure: 1.52kPa (25 ℃)

Upper explosive limit（ V / V ）：10.4%

Lower explosive limit（ V / V ）：1.7%

Appearance: colorless liquid

Solubility: insoluble in water, soluble in ethanol, ether, acetone and other organic solvents^[1]

Molecular structure data:

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Molar refractive index: 23.18

Molar volume (cm three /mol）：85.2

Isotonic specific volume (90.2K): 205.7

Surface tension (dyne/cm): 34.0

Polarization (10 -24 cm three ）：9.19^[1]

Calculate chemical data

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Reference value for drainage parameter calculation (XlogP): 0.4

Number of hydrogen bond donors: 0

Number of hydrogen bond receptors: 1

Number of rotatable chemical bonds: 0

Number of tautomers: 2

Topological molecular polar surface area: 17.1

Number of heavy atoms: 6

Surface electricity:: 0

Complexity: 58.3

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 : 1820mg/kg (mouse by mouth); 1950mg/kg (mouse vein).

LC fifty ：19500mg/m three (Inhaled by rats).

2. Irritation

Rabbit percutaneous: 500mg, mild irritation.

Rabbit eye: 100mg, severe irritation.^[1]

Ecological data

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1. Ecotoxicity

IC fifty : 63~1900mg/L (72h) (algae).

2. 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 5.5d (theoretical).^[1]

purpose

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It is mainly used as an intermediate of drugs, biological products, pesticides and synthetic rubber.

First aid measures

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Skin contact: Take off the contaminated clothes and wash the skin thoroughly with soapy water and clean water.

Eye contact: Lift the eyelid and flush with flowing water or physiological saline. Get medical attention.

Inhalation: quickly leave the site to a place with fresh air. Keep the respiratory tract unobstructed. If breathing is difficult, give oxygen. If breathing stops, perform artificial respiration immediately. Get medical attention.

Ingestion: drink enough warm water to induce vomiting. Get medical attention.

Fire fighting measures

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Hazardous combustion products: carbon monoxide, carbon dioxide.

Fire extinguishing method: spray water to cool the container, and move the container from the fire site to an open place if possible.

Extinguishing agent: foam, dry powder, carbon dioxide, sand.

Leakage emergency treatment

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Evacuate the personnel in the leakage contaminated area to a safe area quickly, isolate them, and strictly restrict access. Cut off the ignition source. It is recommended that emergency personnel wear self-contained positive pressure respirators and anti-static work clothes. Cut off the leakage source as much as possible. Prevent from flowing into restricted spaces such as sewers and flood discharge ditches.

Small amount of leakage: absorb with activated carbon or other inert materials. It can also be brushed with emulsion made of incombustible dispersant, and the washing solution will be diluted and put into the waste water system.

Large amount of leakage: build a dike or dig a pit to receive. Cover with foam to reduce steam disaster. Use explosion-proof pump to transfer to tank car or special collector for recycling or transport to waste disposal site.

Handling and storage

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Operation precautions: close operation, pay attention to ventilation. Operators must be specially trained and strictly abide by the operating procedures. It is recommended that operators wear self-priming filter gas mask (half mask), chemical safety goggles, anti-static work clothes and rubber oil resistant gloves. Keep away from kindling and heat sources, and smoking is strictly prohibited in the workplace. Use explosion-proof ventilation systems and equipment. Prevent vapor leakage into the air of the workplace. Avoid contact with oxidants and reducing agents. The flow rate shall be controlled during filling to prevent the accumulation of static electricity. Load and unload gently during transportation to prevent damage to packaging and containers. Fire fighting equipment and leakage emergency treatment equipment of corresponding types and quantities shall be provided. Empty containers may leave harmful substances.

Precautions for storage: store in a cool and ventilated warehouse. Keep away from kindling and heat sources. The warehouse temperature should not exceed 30 ℃. Keep container sealed. It shall be stored separately from oxidant, reducing agent, etc., 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.