Linalyl acetate CAS115-95-7

Details:

Density 0.9 ± 0.1 g/cm3
Boiling point 220.0 ± 0.0 ° C at 760 mmHg
Melting point 85 ° C
Molecular formula C12H20O2
Molecular weight 196.286
Flash point 90.0 ± 0.0 ° C
Accurate quality 196.146332
PSA 26.30000
LogP 3.83
Appearance: transparent and colorless, oily liquid Buddha's hand smell
Steam density 6.8 (vs air)
Steam pressure 0.1 ± 0.4 mmHg at 25 ° C
Refractive index 1.452
Storage conditions
Store in a cool and ventilated warehouse. Keep away from sparks and heat sources. Prevent direct sunlight. Keep the container sealed. It should be stored separately from oxidants and edible chemicals, and mixed storage should be avoided. Equip corresponding types and quantities of fire-fighting equipment. The storage area should be equipped with emergency response equipment for leaks and suitable storage materials.
Stability
1. Soluble in ethanol, ether, Diethyl phthalate, Benzyl benzoate, non-volatile oil and mineral oil, slightly soluble in propylene glycol, insoluble in water and glycerin.
2. It exists in burley tobacco leaves.
3. Natural products are widely found in lavender, Bergamot orange, lemon, basil, jasmine, ylang, rose, camphor, orange flower, orange leaf, basil and other essential oils.
Molecular structure
5、 Molecular Property Data:
1. Molar refractive index: 59.00
2. Molar volume (cm3/mol): 218.6
3. Isometric volume (90.2K): 501.7
4. Surface tension (dyne/cm): 27.7
5. Polarization rate (10-24cm3): 23.39
Computational chemistry
1. Reference value for hydrophobic parameter calculation (XlogP): 3.3
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond receptors: 2
4. Number of rotatable Chemical bond: 6
5. Number of Tautomer: none
6. Topological molecule Polar surface area 26.3
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 237
10. Number of Isotope Atoms: 0
11. Determine the number of atomic structure centers: 0
12. Number of uncertain atomic structure centers: 1
13. Determine the number of Chemical bond stereo centers: 0
14. Number of uncertain Chemical bond stereostructural centers: 0
15. Number of Covalent bond units: 1

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