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.