Isopentyl acetate Isopentyl acetate
Structural formula
| Business number | 03HD |
|---|---|
| Molecular formula | C7H14O2 |
| Molecular weight | 130.19 |
| label |
banana oil, Isoamyl acetate, Banana water, amyl acetate, Amyl acetate, Banana oil, Isoamyl acetate, Pear oil, Amyl acetic ester, Acetic acid 3-methylbutyl ester, Rubber and plastic additives, Extracting agent |
Numbering system
CAS number:123-92-2
MDL number:MFCD00008946
EINECS number:204-662-3
RTECS number:NS9800000
BRN number:1744750
PubChem number:24900821
Physical property data
1. Properties: colorless, banana-smelling, volatile liquid. [1]
2. Melting point (℃): -78.5[2]
3. Boiling point (℃): 142~142.5[3]
4. Relative density (water=1): 0.88[4]
5. Relative vapor density (air=1): 4.5[5]
6. Saturated vapor pressure (kPa): 0.53 (20℃)[6]
7. Critical pressure (MPa): 2.83[7]
8. Octanol/water partition coefficient: 2.26[8]
9. Flash point (℃): 18~35 (CC) [9]
10. Ignition temperature (℃) ：360[10]
11. Explosion upper limit (%): 7.5[11]
12. Explosion lower limit (%) %): 1.1[12]
13. Solubility: Slightly soluble in water, miscible in ethanol, ether, ethyl acetate, amyl alcohol, etc. [13]
14. Viscosity (mPa·s, 19.91ºC): 0.872
15. Flash point (ºC, closed): 25
16. Flash point (ºC, open): 27
17. Heat of evaporation (KJ/mol): 37.56
18. Heat of formation (KJ/mol) : 532.14
19. Heat of combustion (KJ/mol): 4191.82
20. Specific heat capacity (KJ/(kg·K), 20ºC, constant pressure): 1.92
21. Volume expansion coefficient (K-1): 0.00119
22. Eccentricity factor: 0.414
23. Solubility parameter (J· cm-3)0.5: 16.932
24. van der Waals area (cm2·mol– 1): 1.178×1010
25. van der Waals volume (cm3·mol-1): 83.450
26. Liquid phase standard hot melt (J·mol-1·K-1): 255.0
Toxicological data
1. Acute toxicity: rat oral LD50: 16600mg/kg; rabbit inhalation LCLO: 35gm/m3; rabbit oral LD50: 7422mg/kg; guinea pig subcutaneous LDL0: 5gm/ kg.
2. The steam is irritating to the eyes and upper respiratory tract mucosa. Has anesthetic effect. Cough, chest tightness, fatigue, and burning sensation may occur after exposure. At high concentrations, dizziness and fever may occur. pulse rate, heartHeating to reflux, the reaction is complete when the temperature at the top of the fractionating column reaches 132°C. Then carry out crude distillation, and collect the fraction at 136-143°C at the top of the fractionation column as crude ester. The crude ester is washed twice with saturated brine, and the acid is neutralized with a mixed alkali solution of sodium hydroxide and sodium carbonate. After drying with calcium chloride, it is added to a distillation device for distillation. The fraction at 138-143°C is collected as the finished product. 
Refining method: In addition to containing impurities such as water, acetic acid, isoamyl alcohol, etc., due to different sources of raw materials, Can contain propanol, butanol, hexanol, heptanol and their acetate esters, etc. During refining, wash with sodium bicarbonate or saturated sodium carbonate solution, then wash with saturated aqueous sodium chloride solution, dry with anhydrous sodium sulfate or magnesium sulfate and then rectify. (4)Add sulfuric acid and isoamyl alcohol to glacial acetic acid and heat to reflux. When the temperature at the top of the fractionation column reaches 132°C, the reaction is complete. The reaction formula is as follows: Distill, collect the 136-143°C fraction into crude product, wash it twice with saturated brine, wash it with a mixture of sodium hydroxide and sodium carbonate to remove the acidity, then wash it with calcium chloride solution, dry it with anhydrous calcium chloride, and finally Fractional distillation, collecting the 138-143°C fraction is the finished product.
2. Preparation method:
In a round-bottomed flask equipped with a water separator, add 44g (0.5mol) of foreign alcohol (2) and 30g (0.5mol) of glacial acetic acid. , a grain of zeolite. Slowly heat to reflux. As the reaction proceeds, the water layer in the water separator gradually increases. When the lower layer of water approaches the branch pipe of the manifold, release the water layer into the measuring cylinder. Stop the reaction when approximately 9 mL has been collected. Cool the reaction solution and add 50 mL of water. Separate the organic layer and wash repeatedly with 5% sodium bicarbonate aqueous solution until it becomes weakly alkaline. Finally wash with saturated brine. Dry over anhydrous sodium sulfate. Distill and collect the fractions at 134-142°C to obtain 51g of isoamyl acetate (1) with a yield of 78%. [21]
Purpose
1. Isoamyl acetate is an important solvent, which can dissolve nitrocellulose, glycerol trirosinate, vinyl resin, coumarone resin, rosin, frankincense, dammar resin, sandal resin, castor oil, etc. In Japan, 80% of this product is used as a spice. It has a strong fruit aroma, like pear, banana, apple and other aromas. Therefore, it is widely used as various edible fruit flavors. It is also used in appropriate amounts in tobacco flavors and daily cosmetic flavors. It is also used in the extraction of rayon, dyes, artificial pearls, and penicillin.
2. Used as solvents and spices for grease, rubber, nitrocellulose, varnish, shoe polish, ink, waterproof paint, fabric dyeing, pharmaceutical extraction and refining, etc.
3. Used as analytical reagents, such as solvents, extractants, and standard materials for chromatographic analysis. Also used as food additive. Also used in printing, dyeing, and photography industries.
4. It is one of the main components in the manufacture of spray paint solvents and thinners. [20]
