sucrose octaacetate sucrose octaacetate

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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

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4. number of rotatable chemical bonds: 21

5. number of tautomers:

6. topological molecular polar surface area (tpsa): 238

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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