Benzethonium chloride CAS#121-54-0

Benzethonium chloride Chemical Properties

Boiling point 

162℃[at 101 325 Pa]

bulk density

440kg/m3

density 

0.998 g/mL at 20 °C

vapor pressure 

< 0.001 hPa @ 2°C

refractive index 

1.5650 (estimate)

storage temp. 

2-8°C

solubility 

H2O: 0.1 M at 20 °C, clear, colorless

form 

Liquid

color 

White

Odor

Odorless

PH

5.5-7.5 (25℃, 0.1M in H2O)

PH Range

5.5 - 7.5

Water Solubility 

1-5 g/100 mL at 18 ºC

Sensitive 

Hygroscopic

Merck 

14,1074

BRN 

3898548

Stability:

Stability Stable, but hygroscopic. Incompatible with strong oxidizing agents, soap, anionic detergents, nitrates, acids. Light sensitive.

Cosmetics Ingredients Functions

PRESERVATIVE
ANTIMICROBIAL
SURFACTANT - DISPERSING
DEODORANT

Cosmetic Ingredient Review (CIR)

Benzethonium chloride (121-54-0)

InChI

1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1

InChIKey

UREZNYTWGJKWBI-UHFFFAOYSA-M

SMILES

[Cl-].[N+](CCOCCOc2ccc(cc2)C(CC(C)(C)C)(C)C)(Cc1ccccc1)(C)C

LogP

1.08 at 20℃

CAS DataBase Reference

121-54-0(CAS DataBase Reference)

EPA Substance Registry System

Benzethonium chloride (121-54-0)

Absorption

cut-off at 300nm in H2O at 0.1M

Safety Information

Risk Statements 

22-37/38-41-36-36/37/38-20/21/22-50/53-34-52/53

Safety Statements 

26-36/39-24/25-36/37/39-61-45

RIDADR 

UN1759

WGK Germany 

2

RTECS 

BO7175000

F 

8

Autoignition Temperature

380°C

TSCA 

TSCA listed

HazardClass 

8

PackingGroup 

III

HS Code 

29239000

Storage Class

6.1A - Combustible, acute toxic Cat. 1 and 2
very toxic hazardous materials

Hazard Classifications

Acute Tox. 3 Oral
Aquatic Acute 1
Aquatic Chronic 1
Eye Dam. 1
Skin Corr. 1B

Hazardous Substances Data

121-54-0(Hazardous Substances Data)

Toxicity

LD50 i.v. in mice: 29.5 mg/kg (Weiss)