Musk-T Musk-T
Structural formula
| Business number | 02SJ |
|---|---|
| Molecular formula | C15H26O4 |
| Molecular weight | 270.36 |
| label |
Tridecanedioic acid cycloethylene ester, Kunlun Musk, 13 alkyl acid ethylene ester ring, Kunlun Musk, artificial flavors |
Numbering system
CAS number:105-95-3
MDL number:MFCD00046977
EINECS number:203-347-8
RTECS number:YQ1927500
BRN number:None
PubChem number:24901772
Physical property data
1. Properties: White or light yellow viscous liquid.
2. Density (g/mL, 25℃): 1.040-1.047
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC):
5. Boiling point (ºC, normal pressure): 332
6. Boiling point (ºC, 0.133 kpa): 139-142
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7. Refractive index: 1.47
8. Flash point (ºC):
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20ºC): Not determined
12. Saturated vapor pressure (kPa, 25ºC ): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical Pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) distribution coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Insoluble in water, soluble in ethanol.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 72.64
2. Molar volume (cm3/mol): 276.6
3. Isotonic specific volume (90.2K ): 652.3
4. Surface tension (dyne/cm): 30.9
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 28.79
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4.2
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 3
6. Topological molecule polar surface area 52.6
7. Number of heavy atoms: 19
8. Surface charge: 0
9. Complexity: 237
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12.The number of uncertain stereocenters of atoms: 0
13. The number of determined stereocenters of chemical bonds: 0
14. The number of uncertain stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
Colorless to light yellow liquid. It has a powdery, sweet floral and sweet musky aroma. Insoluble in water, soluble in ethanol.
Not found in nature.
Storage method
None yet
Synthesis method
Heating tridecanedioic acid and ethylene glycol to above 200°C turns into cyclic polyester. Add the catalyst and heat to above 270°C under reduced pressure of 0.133 kPa to distill out the macrocyclic monomer.
Purpose
Its low price can harmonize with a variety of fragrances. Because of its stable properties and non-discoloration, it can be used as a fixative for a variety of cosmetic fragrances. Product quality: ester content ≥98%.
