Benzyl alcohol

Benzyl alcohol name

Chinese name benzyl alcohol

benzyl alcohol

Chinese alias benzyl alcohol

More English nicknames

Biological activity of benzyl alcohol

Description Benzyl alcohol is an aromatic alcohol, which is a colorless liquid with a mild aromatic odor.

Related category

Signal path > > Other; > other

Research Field > > other

Physical and chemical properties of benzyl alcohol

Density 1.0± 0.1g /cm3

Boiling point 204.7±0.0 °C at 760 mmHg

Melting point -15 °C

The molecular formula

Molecular weight 108.138

Flash point 93.9±0.0 °C

Accurate mass 108.057518

PSA 20.23000

LogP 1.03

Appearance properties colorless liquid

Vapor density 3.7 (vs air)

Vapor pressure 0.2±0.4 mmHg at 25°C

Refractive index 1.546

Storage condition

1. Store in a cool, ventilated warehouse. Keep away from fire and heat. It should be stored separately from oxidizing and acidic substances and should not be mixed. Store sealed. Explosion-proof lighting and ventilation facilities are adopted. Do not use mechanical equipment and tools that are prone to spark. The storage area should be equipped with leak emergency treatment equipment and suitable holding materials.

2. Pack in 500ml brown reagent bottle or 20kg polyethylene bucket. Keep closed and away from light. Store in a cool, dry and ventilated place. Store and transport in accordance with flammable materials regulations.

stability

1. Avoid contact with oxidants and acids. Chemical reactivity of primary alcohols. Organic acid esters were obtained by esterification in the presence of zinc chloride and boron trifluoride catalysts. To form acetal with excess acetaldehyde catalyzed by acid. Benzyl alcohol is oxidized to benzaldehyde and further oxidized to benzoic acid. Benzyl alcohol can also undergo nitration, sulfonation, chlorination.

2. Low toxicity, but strong toxicity when attached to the skin in large quantities. Rat transoral LD50:3100mg/kg. Production equipment should be sealed to prevent running, taking, dripping and leaking. Operators should wear protective equipment.

3. It exists in flue-cured tobacco leaf, burley tobacco leaf and flavoured tobacco leaf.

4. It exists naturally in jasmine, neroli, ylang-ylang, NiIao tail, yellow orchid, gardenia, hyacinth, acacia, lilac and castoreum.

Water Solubility 4.29g /100 mL (20 ºC)

Molecular structure

1. Molar refractive index: 32.70

2, molar volume (cm3/mol) : 103.2

3. Iso-volume (90.2K) : 260.8

4. Surface tension (dyne/cm) : 40.7

5. Dielectric constant:

6. Dipole distance (10-24cm3) :

7. Polarization: 12.96

Computational chemistry

1. Reference value for calculating hydrophobic parameters (XlogP) : None

2. Number of hydrogen bond donors :1

3. Number of hydrogen bond receptors :1

4. Number of rotatable bonds :1

5. Number of tautomers: None

6. Topological molecular polar surface area 20.2

7. Number of heavy atoms :8

8. Surface charge :0

9. Complexity :55.4

10. Number of isotope atoms :0

11. Determine the number of primary constitutive centers :0

12. Number of indeterminate atomic orthotropic centers :0

13. Determine the number of chemical bond constitutive centers :0

14. Number of uncertain bond constitutive centers :0

15. Number of covalent bond units :1

more

1. Properties: Colorless transparent liquid, with faint honey sweet fruit aroma.

2. Boiling point (ºC,101.3kPa) : 205.45

3. Melting point (ºC) : -15.3

4. Relative density (g/mL,25/4ºC) : 1.0456

5. Refractive index (n20DºC) : 1.5400

6. Viscosity (mPa·s,15ºC) : 7.760

7. Viscosity (mPa·s,30ºC) : 4.650

8. Flash point (ºC, opening) : 93

9. Ignition point (ºC) : 436.1

10. Heat of evaporation (KJ/mol,b.p.) : 50.52

11. Heat of melting (KJ/mol) : 17.05

12. Heat of formation (KJ/mol) : -161.1

13. Heat of combustion (KJ/mol) : 3739.7

14. Specific heat capacity (KJ/(kg·K),15~20ºC, constant pressure) : 2.26

15. Electrical conductivity (S/m,25ºC) : 18×10-7

16. Body expansion coefficient (K-1) : 0.00075

17. Vapor pressure (kPa, 58ºC) : 0.13

18. Solubility (%,20ºC, water) : 3.8

19 Solubility: slightly soluble in water, with ethanol, ether, chloroform and other miscible. It can dissolve cellulose nitrate, benzyl acetate, coumarone resin, glycerin trirosin ester, frankincense, casein, gelatin, shellac, etc.

20. Relative density (25℃, 4℃) : 1.041

21. Refractive index (n25) at room temperature: 1.5384

22. Critical temperature (ºC) : 441.85

23. Critical pressure (MPa) : 4.3

24. Eccentricity factor: 0.691

25. Solubility parameter (J·cm-3) 0.5:24.649

26. Area of van der Waals (cm2·mol-1) : 8.110×109

27. van der Waals volume (cm3·mol-1) : 64.110

28. Standard heat of combustion (enthalpy) of gas phase (kJ·mol-1) : -3797.48

29. The gas phase standard claims heat (enthalpy)(kJ·mol-1) : -100.42

30. Liquid phase standard heat of combustion (enthalpy)(kJ·mol-1) : -3737.19

31. The liquid phase standard claims heat (enthalpy)(kJ·mol-1) : -160.71

32. Liquid phase standard entropy (J·mol-1·K-1) : 216.7

33. Standard free energy of formation in liquid phase (kJ·mol-1) : -27.15

34. Liquid phase standard hot melt (J·mol-1·K-1) : 223.3