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