dihydroxyacetone

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:96-26-4

mdl number:none

einecs number:202-494-5

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. appearance: white powdery crystal with sweet taste

2. density (g/ml, 25℃): undetermined

3. relative vapor density ( g/ml, air=1): undetermined

4. melting point (ºc): 75-80

5. boiling point (ºc, normal pressure): undetermined

6. boiling point (ºc, kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific optical rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (mmhg,ºc ): undetermined

12. saturated vapor pressure (kpa, ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined determined

17. explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v): undetermined

19. solubility: easily soluble in organic solvents such as water, ethanol, ether and acetone

toxicological data

1. acute toxicity: rat oral ldlo: 80mg/kg; rat intraperitoneal ld50: 8750mg/kg; rabbit intraperitoneal ld: >8mg/kg;

2. mutagenicity

mutation of salmonella typhimurium: 100μg/plate;

mutation of salmonella typhimurium: 1mg/plate;

e. coli mutation: 3300μmol/l;

dna repair of bacillus subtilis: 2ppm

ecological data

none

molecular structure data

1. molar refractive index: 19.04

2. molar volume (cm³/mol): 70.1

3. isotonic specific volume (90.2k ): 190.0

4. surface tension (dyne/cm): 53.7

5. polarizability (10-24cm3): 7.55

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): -1.4

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 3

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4. number of rotatable chemical bonds: 2

5.��number of isomers: 3

6. topological molecule polar surface area 57.5

7. number of heavy atoms: 6

8. surface charge: 0

9. complexity: 44

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determined number of chemical bond stereocenters: 0

14. uncertain number of chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

none

synthesis method

none

purpose

used in organic synthesis, biochemical research, substrate for galactose oxidase, and artificial tanning agent.

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