δ-dodecanolide

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:713-95-1

mdl number:mfcd00006651

einecs number:211-932-4

rtecs number:uq0850000

brn number:1282749

pubchem number:24845067

physical property data

1. characteristics: colorless liquid with peach-like fruity aroma.

2. density (g/ml,25/4℃):0.942

3. relative vapor density (g/ml,air=1): undetermined

4. melting point (ºc):– 12

5. boiling point (ºc,1mmhg):140-141

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index: 1.460

8. flash point (ºc): >110

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (kpa,25ºc): undetermined

12. saturated vapor pressure (kpa,60ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. oil and water (octanol/log value of the partition coefficient of water: undetermined

17. explosion limit (%,v/v): undetermined

18. lower explosion limit (%,v/v): undetermined

19. solubility:insoluble in water, highly soluble in ethanol, propylene glycol and vegetable oil.

toxicological data

acute toxicity: rat caliberld50: > 5mg/kg

ecological data

normally hazardous to water. do not discharge material into the surrounding environment without government permission.

molecular structure data

1. molar refractive index: 57.28

2. molar volume（m³/ mol）：214.1

3. isotonic ratio（90.2k）：504.5

4. surface tension（dyne/cm）：30.8

5. dielectric constant:

6. dipole moment（10 ^-24cm³)：

7. polarizability: 22.70

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 6

5. number of tautomers: 2

6. topological molecule polar surface area 26.3

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 166

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

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

stable under normal temperature and pressure, avoid contact with oxides

storage method

, keep the container sealed and put it tightly store in a cool, dry place

synthesis method

none yet

purpose

in daily chemical flavors, it is widely used in various floral scents, sweet peach, and vanilla flavors, and has a good aroma-fixing effect; in food flavors, because it naturally exists in peaches, it can be used in various applications. fruity aroma, apricot aroma, honey and cheese, cream chocolate, dairy products.