benzyl stearic acid

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:616-75-1

mdl number:mfcd00004261

einecs number:210-491-5

rtecs number:oo0525000

brn number:643530

pubchem number:24848075

physical property data

1. properties: white prismatic crystals.

2. density (g/ml, 25/4℃): 1.37

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

4 . melting point (ºc): 117~120

5. boiling point (ºc, normal pressure): 378.4

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

7. refractive index: undetermined

8. flash point (ºc): 196.8

9. specific rotation (º): undetermined

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

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

12. saturated vapor pressure (kpa, 60ºc ): 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) distribution coefficient: undetermined

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

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

19. solubility: easily ethanol, ether, water and hot benzene.

toxicological data

none

ecological data

1. other harmful effects: this substance may be harmful to the environment, and special attention should be paid to water bodies.

molecular structure data

1. molar refractive index: 48.15

2. molar volume (cm³/mol): 144.8

3. isotonic specific volume (90.2k ): 404.4

4. surface tension (dyne/cm): 60.6

5. polarizability (10^-24cm³)：19.09

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.5

2. number of hydrogen bond donors: 2

3. number of hydrogen bond acceptors: 4

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 74.6

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 204

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters�:0

12. uncertain number of stereocenters of atoms: 0

13. determined number of stereocenters of chemical bonds: 0

14. uncertain chemical bonds number of stereocenters: 0

15. number of covalent bond units: 1

properties and stability

1. heat to 180℃ and decompose into carbon dioxide and hydrogenated cinnamic acid. irritating.

2. exist in smoke.

storage method

this product should be kept sealed.

synthesis method

none

purpose

organic synthesis.

resource:allhdi.com