structural formula
| business number | 03jy |
|---|---|
| molecular formula | c28h38o19 |
| molecular weight | 678.59 |
| label |
sucrose octaacetate, denaturant, additive, plasticizer |
numbering system
cas number:126-14-7
mdl number:mfcd00006623
einecs number:204-772-1
rtecs number:wn6620000
brn number:79290
pubchem number:24888180
physical property data
none
toxicological data
skin/eye irritation data
rabbit skin contact: 500mg/24h moderate reaction
acute toxicity data
rat oral ld50: >5mg /kg
rabbit skin ld50: >5 mg/kg
ecological data
none
molecular structure data
1. molar refractive index: 147.52
2. molar volume (cm3/mol): 494.4
3. isotonic specific volume (90.2k): 1337.8
4. surface tension (dyne/cm): 53.5
5. polarizability (10-24cm3): 58.48
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): -0.9
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 19
p>
4. number of rotatable chemical bonds: 21
5. number of tautomers:
6. topological molecular polar surface area (tpsa): 238
p>
7. number of heavy atoms: 47
8. surface charge: 0
9. complexity: 1210
10. number of isotope atoms : 0
11. determine the number of atomic stereocenters: 9
12. uncertain number of atomic stereocenters: 0
13. determine the chemical bond configuration number of centers: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
none
synthesis method
none
purpose
usage: this product is used as alcohol denaturant, bitter additive for food and medicine (such as used in beer, medicinal wine, coffee and its products and flavored food); used as adhesive for food packaging, paper impregnating agent, cellulose ester and synthetic plasticizers and additives for resins, etc.; can also be used as additives for tobacco and its products and feed additives; alsogood medicine to prevent thumb sucking and nail biting in children
