N-pentane is an organic compound with chemical formula CfiveHtwelveIt is mainly used as solvent, reference liquid of gas chromatography, anesthetics, and also can be used to manufacture artificial ice, anesthetics, synthesis of pentanol, isopentane, etc.
Chinese name
N-pentane
Foreign name
Pentane[3]
Alias
Pentane[3]
chemical formula
CfiveHtwelve
molecular weight
seventy-two point one four nine
CAS login number
109-66-0[3]
EINECS login number
203-692-4
Melting point
-130 ℃
Boiling point
36 ℃
Water solubility
Slightly soluble
Density
0.626 g/cm³
Appearance
Colorless Transparent Liquid
Flash point
-40 ℃[2]
Application
Solvents, gas chromatography reference liquid and anesthetics can also be used to manufacture artificial ice, anesthetics, synthesis of pentanol, isopentane, etc
Solubility: slightly soluble in water, soluble in ethanol, ether, acetone, benzene, chloroform and other organic solvents[1]
chemical reaction
1. Pentane burns in oxygen to produce carbon dioxide and water:
CfiveHtwelve+ 8 Otwo→ 5 COtwo+ 6 HtwoO
2. Like other alkanes, pentanes can undergo free radical chlorination:
CfiveHtwelve+ Cltwo→ CfiveHelevenCl + HCl
This kind of reaction is non selective, and the product is a mixture of 1 -, 2 -, 3-chloropentane and polysubstituted derivatives.Other halogens can also take place free radical substitution reaction with pentane.
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: 2
Number of tautomers: 0
Topological molecular polar surface area: 0
Number of heavy atoms: 5
Surface charge: 0
Complexity: 7.5
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
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1. Acute toxicity
LDfifty: ＞ 2000mg/kg (rat by mouth);446mg/kg (mouse vein)
LCfifty：364g/mthree(Inhalation of rats, 4h)
2. Subacute and chronic toxicity
Animals inhaled 25.2116332800 mg/m3 for 117 days, and no toxic reaction was found.[1]
Ecological data
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1. Ecotoxicity
LCfifty: 100mg/L (96h) (fish)
2. Biodegradability
MITI-I test showed that the initial concentration was 100ppm, the sludge concentration was 30ppm, and the degradation rate was 96% after 4 weeks.
3. Non biodegradable
In the air, when the concentration of hydroxyl radical is 5 × 10fivePcs/cmthreeThe half-life of degradation is 4d (theoretical).
4. Bioaccumulation
BCF: 80 (theoretical)[1]
application area
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It is mainly used as solvent, reference liquid of gas chromatography, anesthetic, and can also be used to manufacture artificial ice, anesthetic, synthesis of pentanol, isopentane, etc.
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 29 ℃.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.
Emergency Management
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Leakage emergency treatment
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 fire protection clothing.Cut off the leakage source as much as possible.Prevent entry into restricted spaces such as sewers and flood discharge ditches.
Small amount of leakage: absorb with activated carbon or other inert materials.
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.
Protective measures
Respiratory system protection: generally, no special protection is required. When the concentration in the air is high, it is recommended to wear a self-priming filter gas mask (half mask).
Eye protection: wear chemical safety goggles when necessary.
Body protection: Wear anti-static work clothes.
Hand protection: wear benzene and oil resistant gloves.
Others: Smoking is strictly prohibited at the work site.Avoid long-term repeated contact.
First aid measures
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, induce vomiting, and seek medical advice.
security information
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Safety terminology
S9：Keep container in a well-ventilated place.
Keep the container in a well ventilated place.
S16：Keep away from sources of ignition - No smoking.
Keep away from ignition sources and no smoking.
S29：Do not empty into drains.
Do not discharge into the sewer.
S33：Take precautionary measures against static discharges.
Take precautions against static electricity.
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
R12：Extremely flammable.
Extremely flammable.
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.
R66：Repeated exposure may cause skin dryness or cracking.
Prolonged contact may cause dry and cracked skin.
R67：Vapours may cause drowsiness and dizziness.
Vapours may cause drowsiness and dizziness.
Hazard category
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Flammable liquid, category 2;
Specific target organ toxicity - one exposure, category 3 (anesthetic effect);
Inhalation hazard, category 1;
Hazardous to the aquatic environment - acute hazard, Category 2[3]
