ethyl nonanoate ethyl nonanoate

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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.