Structural formula
Business number | 03KW |
---|---|
Molecular formula | C22H32O2 |
Molecular weight | 328.50 |
label |
Retinyl acetate, Vitamin A Acetate, Retinol acetate, Retinyl acetate, vitamins |
Numbering system
CAS number:127-47-9
MDL number:MFCD00019413
EINECS number:204-844-2
RTECS number:VH6825000
BRN number:1915439
PubChem number:24899372
Physical property data
1. Melting point (ºC): 57~58
2. Refractive index(n20D) :1.549
Toxicological data
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 105.00
2. Molar volume (cm3/mol): 339.0
3. Isotonic specific volume (90.2K): 826.7
4. Surface tension (dyne/cm): 35.3
5. Polarizability (10-24cm3): 41.62
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: 7
5. Number of tautomers: none
6. Topological molecule polar surface area 26.3
7. Number of heavy atoms: 24
8. Surface charge: 0
9. Complexity: 596
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 4
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Found in tobacco leaves.
Storage method
Storage temperature 2~8ºC
Synthesis method
None
Purpose
None