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Domiphen bromide

Domiphen bromide structure

CAS No:
538-71-6
Formula:
C22H40NO.Br
Chemical Name:
Domiphen bromide
Synonyms:
1-Dodecanaminium,N,N-dimethyl-N-(2-phenoxyethyl)-,bromide (1:1);Ammonium,dodecyldimethyl(2-phenoxyethyl)-,bromide;1-Dodecanaminium,N,N-dimethyl-N-(2-phenoxyethyl)-,bromide;Dodecyldimethyl(2-phenoxyethyl)ammonium bromide;Bradosol;Bradosol bromide;Domiphen bromide;PDDB;Phenododecinium bromide;(β-Phenoxyethyl)dimethyldodecylammonium bromide;N-Dodecyl-N-(2-phenoxyethyl)dimethylammonium bromide;Bradonit;Bradoral;Oradol;Fungitex R;Fungitex;Modicare;NSC 39415;Neo-Bradoral;138846-42-1;2702-99-0;12040-53-8
Categories:
Cosmetic Ingredient > Antiplaque

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Description

Domiphen bromide is an aromatic ether.

Domiphen bromide Basic Attributes

Molecular Weight：

414.46300

Exact Mass：

413.22900

EC Number：

208-702-0

UNII：

R4CY19YS7C

DSSTox ID：

DTXSID5033468

Color/Form：

Crystals

HScode：

2942000000

Characteristics

PSA：

9.23000

XLogP3：

3.06670

Density：

1.1411 (rough estimate)

Melting Point：

112-113 °C

Water Solubility：

Soluble in ethanol, acetone, ethyl acetate, chloroform and water. Slightly soluble in benzene.

Vapor Pressure：

3.1X10-11 mm Hg @ 25 deg C /Estimated/

Odor：

Mild characteristic odor

Taste：

Bitter

PH：

pH of 10% solution: 6.42; 1% commercial product @ 25 °C: 5.5; of 0.1%: 6.8

Henrys Law Constant：

Henry's Law constant = 4.3X10-13 atm-cu m/mole @ 25 °C /Estimated/

Experimental Properties：

Aqueous solutions are clear, colorless, and foam profusely on shaking. ... Incompatible with soap|Hydroxyl radical reaction rate constant = 8.6X10-11 cu cm/molec-sec @ 25 °C /Estimated/

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

UN 2811

wgk germany：

hazard class code：

R36/37/38

safety instructions：

S26-S36

RTECS Number：

BQ2030000

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H302

Disposal Methods：

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

GHS Classification：

|Warning|H302 (15.22%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Toxicity

Human Exposure：

NIOSH (NOES Survey 1981-1983) has statistically estimated that 853 workers (209 of these are female) are potentially exposed to domiphen bromide in the US(1).

Drug Information

Therapeutic Uses：

Anti-infective (topical)|The efficacy and tolerability of domiphen bromide (domifen bromide), administered at a dosage of 0.5 mg every 4-6 hr in a double-blind placebo controlled study in 31 patients affected by acute infectious dental diseases, are described. After 2 days of treatment with the drug, there was a significant decrease in pain and inflammation. The drug elicited a good response, improved prognosis and reduced the number of days of illness.

Mechanism of Action：

Domiphen bromide is a quaternary antiseptic with actions and uses similar to those of cationic surfactants.

MeSH Entry Terms：

domiphen

Domiphen bromide Use and Manufacturing

Uses

An antiseptic that kills various bacteria and fungi that are associated with throat infections.

Formulations：

Trade names: Bradosol Bromide, Oradol, Modicare, Neo-Bradoral

Manufacturing Info：

1-Dodecanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, bromide (1:1): ACTIVE|Prepared by heating phenoxyethyldimethylamine with dodecyl bromide

Use Classification：

Cosmetics -> Antimicrobial; Antiplaque; Deodorant; Oral care

Computed Properties

Molecular Weight:414.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:15
Exact Mass:413.22933
Monoisotopic Mass:413.22933
Topological Polar Surface Area:9.2
Heavy Atom Count:25
Complexity:271
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Material

1-Bromododecane

Downstream Products

1-Bromododecane

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Guide of Domiphen bromide

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Material
Downstream Products
Recommended Suppliers
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Domiphen bromide

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