Structural formula
Business number | 07EQ |
---|---|
Molecular formula | C12H22O2 |
Molecular weight | 198.30 |
label |
Butyl dodecanolide, 6-Heptyltetrahydro-2H-pyran-2-one, 5-Hydroxydodecanoic acid-delta-lactone, δ-Giladecanolide, δ-lauryl lactone, (±)-δ-Heptyl-δ-valerolactone, (±)-5-Dodecanolide, (±)-6-Heptyltetrahydro-2H-pyran-2-one, 5-Hydroxydodecanoic acid δ-lactone, food additives, Edible spices, Flavor enhancer |
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.