多米芬溴化物

Description

Domiphen Bromide · CAS 538-71-6 · C22H40NO.Br. UNII R4CY19YS7C. Melting Point: 112-113 °C; Vapor Pressure: 3.1X10-11 mm Hg @ 25 °C /Estimated/.

Identification

CAS Registry Number	538-71-6
PubChem CID	10866
Molecular formula	C22H40NO.Br
IUPAC name	dodecyl-dimethyl-(2-phenoxyethyl)azanium bromide
UNII (FDA)	R4CY19YS7C

Computed Descriptors

Molecular Weight	414.5
Hydrogen Bond Donor Count	0
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
Formal Charge	0
Complexity	271

Physical & Chemical Properties

Melting Point	112-113 °C
Vapor Pressure	3.1X10-11 mm Hg @ 25 °C /Estimated/

Physical description & handling notes

• Crystals
• Mild characteristic odor
• Bitter
• Freely soluble in water (100 g/100 mL), much less sol at low temps. Soluble in ethanol, acetone, ethyl acetate, chloroform; very slightly soluble in benzene
• log Kow = 4.20 /Estimated/
• Henry's Law constant = 4.3X10-13 atm-cu m/mole @ 25 °C /Estimated/

Regulatory Status

Regulatory & Food Contact	CIR / INCI: Antimicrobial; Deodorant; Antiplaque; Oral care

GHS Hazard Classification

Reported hazard statements	H302 (16.3%), H315 (91.8%), H319 (91.8%), H335 (85.7%)

Documented Uses

• Cosmetics -> Antimicrobial; Deodorant; Antiplaque; Oral care
• Information on 15 consumer products that contain Domiphen bromide in the following categories is provided:
• 1-Dodecanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, bromide (1:1): ACTIVE
• Prepared by heating phenoxyethyldimethylamine with dodecyl bromide
• 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.
• Domiphen bromide is a quaternary antiseptic with actions and uses similar to those of cationic surfactants.

Synonyms

domiphen bromide; 538-71-6; Oradol; Phenododecinium bromide; NSC-39415; Bromuro de domifeno; Bromure de domiphene; 1-Dodecanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, bromide; Domipheni bromidum; DTXSID5033468; R4CY19YS7C; Dodecyldimethyl(2-phenoxyethyl)ammonium bromide; DTXCID3013468; domifene bromuro; RefChem:590363; A01AB06

Frequently Asked Questions

What are the CAS number and molecular formula of Domiphen Bromide?

CAS 538-71-6; molecular formula C22H40NO.Br; molecular weight — g/mol.

What other names is Domiphen Bromide known by?

domiphen bromide, 538-71-6, Oradol, Phenododecinium bromide, NSC-39415, Bromuro de domifeno.

What is the regulatory status of Domiphen Bromide?

Documented regulatory listings: CIR / INCI: Antimicrobial; Deodorant; Antiplaque; Oral care.

Is Domiphen Bromide classified as hazardous?

Hazard statements reported: H302, H315, H319, H335.

What are the key physical properties of Domiphen Bromide?

Melting Point: 112-113 °C; Vapor Pressure: 3.1X10-11 mm Hg @ 25 °C /Estimated/.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.