Ethyl nonanoate Ethyl nonanoate
Structural formula
| Business number | 03GE |
|---|---|
| Molecular formula | C11H22O2 |
| Molecular weight | 186.30 |
| label |
Ethyl nonanoate, Ethyl pelargonate, Ethyl pelargonate, Ethyl nonylate, food additives, Flavor enhancer |
Numbering system
CAS number:123-29-5
MDL number:MFCD00009570
EINECS number:204-615-7
RTECS number:RA6845000
BRN number:1759169
PubChem number:24901093
Physical property data
1. Properties: Colorless and transparent liquid with strong grape aroma, rose aroma, fruity and wine aroma.
2. Melting point (ºC): -36.7
3. Boiling point (℃, 101kpa): 227, 119~220ºC (3066pa)
4. Relative Density (d254) : 0.866
5. Refractive index (n20 D): 1.422
6. Solubility: Insoluble in water, soluble in ethanol, ether, acetone and other organic solvents.
7. Relative density (20℃, 4℃): 0.8657
8. Relative density (25℃, 4℃): 0.8616
9. Critical Temperature (ºC): 390.85
10. Flash point (ºC): 94
Toxicological data
1. Acute toxicity: Rat oral LD50: >4300mg/kg
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 54.78
2. Molar volume (cm3/mol): 213.5
3. Isotonic specific volume (90.2K ): 494.5
4. Surface tension (dyne/cm): 28.7
5. Polarizability (10-24cm3): 21.71
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 9
5. Number of tautomers: none
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 121
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Found in flue-cured tobacco leaves.
2. Naturally found in apple brandy, wheat bread, cocoa, pineapple, banana, and apple.
Storage method
Store in a cool, ventilated warehouse
Synthesis method
1.Unionanoic acid (95%) 930kg and 320kg of ethanol (95%) are directly esterified under the catalysis of sulfuric acid, and then neutralized, washed and distilled to obtain the finished product.
2. Tobacco: FC, 18.
Purpose
1. GB2760-96 stipulates that the use of edible flavors is allowed, and it is mainly suitable for the preparation of fruit-based flavors that require sweetness and sourness, brandy, rum, coconut and other flavors.
2. Commonly used in baked goods, candies, and puddings.