Benzyltrimethylammonium hydroxide Benzyltrimethylammonium hydroxide

Structural formula

Business number	02JU
Molecular formula	C10H17NO
Molecular weight	167.25
label	Benzyltrimethylammonium Hydroxide, N,N,N-trimethylbenzyl ammonium hydroxide, Trimethylbenzyl ammonium hydroxide, 2-Benzyloxynaphthalene, Benzyltrimethylammonium hydroxide solution, Triton® B, C6H5CH2N(OH)(CH3)3, Trimethylbenzylammonium Hydroxide, Benzyltrimethyl-Ammoniuhydroxide, N,N,N-Trimethyl-Benzenemethanaminiuhydroxide, N,N,N-Trimethylbenzenemethanaminiumhydroxide

Numbering system

CAS number:100-85-6

MDL number:MFCD00008281

EINECS number:202-895-5

RTECS number:BO8575000

BRN number:3917256

PubChem number:24854772

Physical property data

1. Characteristics: Colorless to light yellow transparent liquid

2. Density (g/mL,25℃):1.059

3. Relative vapor density (g/mL,Air =1): Undetermined

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,normal pressure):65

6. Boiling point (ºC, 61KPa): Undetermined

7. Refractive index:1.43

8. Flashpoint (ºC): 15

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg,20ºC): Undetermined

12. Saturated vapor pressure (kPa, 20ºC): Not determined

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

17. Explosion upper limit (%,V/V): Undetermined

18. Lower explosion limit (%,V/V): Undetermined

19. Solubility:Soluble in methanol and water.

Toxicological data

Acute toxicity: Mouse subcutaneous LDL0 ：35mg/kg；

Ecological data

This substance is harmful to the environment, and special attention should be paid to the pollution of water bodies.

Molecular structure data

None yet

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 1

7. Number of heavy atoms: 12

8. Surface charge: 0

9. Complexity: 107

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: 2

Properties and stability

Avoid contact with oxides and acids.

Storage method

Stored in a cool, ventilated warehouse. Keep away from fire, heat sources and anti-static. The storage temperature should not exceed 30℃ . They should be stored separately from oxidants and acidic substances, and avoid mixed storage. Keep sealed. Not suitable for large amounts of storage
Save or persist. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.

Synthesis method

None yet

Purpose

Mainly usedOrganic reagents, pharmaceutical intermediates, Phase transfer catalyst.

ONT-FAMILY: 宋体; mso-bidi-font-family: 宋体”>℃ .Should be stored separately from oxidants and acidic substances, and avoid mixed storage. Stored in a sealed container. Not suitable for large amounts of storage
Save or persist. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.