Benzalkonium
- Product NameBenzalkonium
- CAS8001-54-5
- CBNumberCB00123324
- MFC17H30ClN
- MW283.88
- EINECS616-786-9
- MDL NumberMFCD00050250
- MOL File8001-54-5.mol
Chemical Properties
Boiling point | >100°C/760mmHg |
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 |
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) |
FDA UNII | 7N6JUD5X6Y |
ATC code | D08AJ01,D09AA11,R02AA16 |
EPA Substance Registry System | Benzalkonium chloride (8001-54-5) |
Safety
Symbol(GHS) | |
Signal word | Danger |
Hazard statements | H302-H318-H314-H332-H312 |
Precautionary statements | P280-P305+P351+P338-P310-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312 |
Hazard Codes | C,N |
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 |
HS Code | 34021200 |
Hazardous Substances Data | 8001-54-5(Hazardous Substances Data) |
Toxicity | LD50 orally in rats: 400 mg/kg (Cummins, Kimura) |