Basic information
- CAS
19379-90-9- Standard SMILES
CCCCCCCCCCCC[N+](CCO)(CCO)Cc1ccccc1.[Cl-]- InChIKey
UUSQFLGKGQEVCM-UHFFFAOYSA-M- Molecular formula
- C23H42NO2.Cl
- Average molar mass
- 400 g/mol
- Monoisotopic mass
- 399.2904073
Overview
structure
Names & identifiers
- Preferred name
- Benzoxonium Chloride
- IUPAC
- benzyl-dodecyl-bis(2-hydroxyethyl)azanium chloride
- English name
- Benzoxonium chloride
- Molecular formula
- C23H42ClNO2
- Molecular weight
- 400.04
Names & synonyms
Benzoxonium chloride19379-90-9AbsonalBradophenBeloranBactofenCohortanLomadesBialcolOrofarKatanol C12Cloruro de benzoxonio
Show more names
d301Benzoxoniumzy15021absonalv
Chlorure de benzoxoniumBenzoxonii chloridumBenzyldodecylbis(2-hydroxyethyl)ammonium chlorideNSC-14190512IMO9R11XD-301ZY-15021N-Dodecyl-N,N-bis(2-hydroxyethyl)benzenemethanaminium chloride
Database identifiers
- CAS
19379-90-9- PubChem CID
- 29563
- DTXSID
DTXSID3041906- ChEMBL
CHEMBL2104255- UNII
- 12IMO9R11X
- EC Number
- 243-008-1
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 297
Experimental & physicochemical properties
CosmeticsAntimicrobial
Physicochemical properties
- Melting point
- 107 · 107-109°
- form
- Solid
- color
- White to off-white
- Cosmetics Ingredients Functions
- ANTIMICROBIAL
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 12 IMO9R11X · 12IMO9R11X
- ATC code
- 1 AB14,D08AJ05 · A01AB14,D08AJ05
- EPA Substance Registry System
- Dodecyl bis(2-hydroxyethyl) benzyl ammonium chloride (19379-90-9)
- Symbol(GHS)
- 5 · GHS05,GHS09,GHS06
- Signal word
- Danger
- Hazard statements
- 302 · H302-H410-H315-H331-H318
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P280-P305+P351+P338-P310-P273-P391-P501-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxyethyl)-, chloride
REACH registered substance: Benzoxonium chloride (EC: 243-008-1)
N-Benzyl-N-dodecyl-N-bis (2-hydroxyethyl) ammonium chloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Toxicity
- LD50 orally in rats: 750 mg/kg (Goeth)
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS09,GHS06
- Hazard statements
- H302-H410-H315-H331-H318
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P280-P305+P351+P338-P310-P273-P391-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
ATC Code
D - Dermatologicals
A - Alimentary tract and metabolism
QD - Dermatologicals
QA - Alimentary tract and metabolism
Uses & manufacturing
Use ClassificationCosmetics -> Antimicrobial
General Manufacturing InformationBenzenemethanaminium, N-dodecyl-N,N-bis(2-hydroxyethyl)-, chloride (1:1): ACTIVE
Applications
UsesBenzoxonium chloride is an anti-leishmanial agent. Benzoxonium chloride inhibits bacteria, certain protozoa, yeasts and non-spore forming organisms[1].
Suppliers21 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Syntechem Co.,Ltd[email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
武汉丰泰威远科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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