1,4-anshenol

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:470-67-7

mdl number:mfcd00209502

einecs number:207-428-9

rtecs number:os9274000

brn number:104974

pubchem number:24856555

physical property data

1. character: colorless liquid

2. density (g/ m³,25/4℃): 0.887

3. relative vapor density (g/cm³,air=1): undetermined

4. melting point (ºc):-46

5. boiling point (ºc,normal pressure):65

6. boiling point (ºc,5.2kpa): undetermined

7. refractive index:1.445

8. flash point (ºf):118

9. specific optical rotation (º): undetermined

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

11. vapor pressure (kpa,25ºc): undetermined

usually not harmful to water, if do not release material into the environment without government permission.

molecular structure data

1, molar refractive index:45.70

2, molar volume （m³/mol)：157.8

3, isotonic specific volume (90.2k):382.3

4, surface tension （dyne/cm)：34.4

5、 polarizability（10^-24cm³ )：18.11

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.5

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 9.2

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 164

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: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

use and store according to specifications, no decomposition will occur, and avoid contact with oxides

storage method

save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

synthesis method

none yet

purpose

gb/t (14156-93) is listed as allowed food spices.

ion: wi-orphan; tab-stops: list 36.0pt; mso-margin-top-alt: auto; mso-margin-bottom-alt: auto” class=msonormal align=left>4, surface tension（dyne/cm）：34.4

5、 polarizability（10^-24cm³ )：18.11

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.5

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 9.2

7. number of heavy atoms: 11

8. surface charge: 0

9. complexity: 164

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: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

use and store according to specifications, no decomposition will occur, and avoid contact with oxides

storage method

save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

synthesis method

none yet

purpose

gb/t (14156-93) is listed as allowed food spices.

store in a ventilated, dry place and avoid contact with other oxides.

synthesis method

none yet

purpose

gb/t (14156-93) is listed as allowed food spices.