Cyclopentadecanolide CAS106-02-5

Details:

Density 0.9± 0.1g /cm3

The boiling point is 344.8±10.0 °C at 760 mmHg

Melting point 34-38 °C(lit.)

Molecular formula C15H28O2

Molecular weight 240.382

Flash point 143.4±16.4 °C

Accurate mass 240.208923

PSA 26.30000

LogP 5.44

Appearance character white fine, intense crystal

Vapor pressure 0.0±0.8 mmHg at 25°C

Refractive index 1.436

Storage condition

Store in a cool, ventilated warehouse. Keep away from fire and heat. Should be stored separately from oxidizer, do not mix storage. Store away from light. Equipped with the corresponding variety and quantity of fire equipment. The storage area should be equipped with leak emergency treatment equipment and suitable holding materials.

 

stability

1. Avoid contact with oxides.

 

2. Colorless liquid when molten. Solid at room temperature.

 

3. Dissolve in 80% ethanol by 6 volumes or 90% ethanol by the same volume. Delicate musk-like animal and floral aromas, strong and sweet, diffusing and lasting, but not as sweet and soft as the light scent of cyclopentanone.

 

4. It exists in tobacco leaves.

 

5. It occurs naturally in the root oil.

 

Molecular structure

Molecular property data:

 

1. Molar refractive index: 73.57

 

2, molar volume (cm3/mol) : 270.1

 

3. Isotropic volume (90.2K) : 633.3

 

4. Surface tension (dyne/cm) : 30.2

 

5. Dielectric constant:

 

6. Dipole distance (10-24cm3) :

 

7. Polarization: 29.16

 

Computational chemistry

1. Reference value for calculating hydrophobic parameters (XlogP) :5.8

 

2. Number of hydrogen bond donors :0

 

3. Number of hydrogen bond receptors :2

 

4. Number of rotatable bonds :0

 

5. Number of tautomers :2

 

6. Topological molecular polar surface area 26.3

 

7. Number of heavy atoms :17

 

8. Surface charge :0

 

9. Complexity :189

 

10. Number of isotope atoms :0

 

11. Determine the number of primary constitutive centers :0

 

12. Number of indeterminate atomic orthotropic centers :0

 

13. Determine the number of chemical bond constitutive centers :0

 

14. Number of uncertain bond constitutive centers :0

 

15. Number of covalent bond units :1

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