Benzalkonium chloride CAS#8001-54-5

Benzalkonium chloride Chemical Properties

Boiling point 

>100°C/760mmHg

bulk density

800kg/m3

density 

0.98

storage temp. 

Store below +30°C.

solubility 

Very soluble in water and in ethanol (96 per cent). An aqueous solution froths copiously when shaken.

form 

Viscous Solution

Specific Gravity

0.98

color 

Clear or white to yellow, may contain yellow-white fragments

PH

6-8 (20°C, 10g/L in H2O)

Stability:

Stable. Incompatible with strong oxidizing agents, moisture. Hygroscopic.

InChI

InChI=1S/C10H16N.ClH/c1-11(2,3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3;1H/q+1;/p-1

InChIKey

KXHPPCXNWTUNSB-UHFFFAOYSA-M

SMILES

C1C=C(C[N+](C)(C)C)C=CC=1.[Cl-]

LogP

1.692 (est)

CAS DataBase Reference

8001-54-5(CAS DataBase Reference)

EPA Substance Registry System

Benzalkonium chloride (8001-54-5)

Safety Information

Risk Statements 

21/22-34-50

Safety Statements 

36/37/39-45-61

RIDADR 

UN 3261 8/PG 3

WGK Germany 

3

RTECS 

BO3151000

F 

3-9

HazardClass 

8

HS Code 

34021200

Storage Class

8A - Combustible, corrosive hazardous materials

Hazard Classifications

Acute Tox. 4 Oral
Aquatic Acute 1
Eye Dam. 1
Skin Corr. 1B

Hazardous Substances Data

8001-54-5(Hazardous Substances Data)

Toxicity

LD50 orally in rats: 400 mg/kg (Cummins, Kimura)