Hexetidine

Description

Hexetidine · CAS 141-94-6 · C21H45N3. UNII 852A84Y8LS. Boiling Point: 160 °C at 0.4 mm Hg; Melting Point: Freezing point = 70 °C; Density: 0.8889 at 20 °C.

Identification

CAS Registry Number	141-94-6
PubChem CID	3607
Molecular formula	C21H45N3
IUPAC name	1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine
UNII (FDA)	852A84Y8LS

Computed Descriptors

Molecular Weight	339.6
XLogP3	5.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Exact Mass	339.361348448
Monoisotopic Mass	339.361348448
Topological Polar Surface Area	32.5
Heavy Atom Count	24
Formal Charge	0

Physical & Chemical Properties

Boiling Point	160 °C at 0.4 mm Hg
Melting Point	Freezing point = 70 °C
Density	0.8889 at 20 °C
LogP	2.05
Dissociation Constants	pKa = 8.3

Physical description & handling notes

• Liquid
• Soluble in petroleum ether, methanol, benzene, acetone, ethanol, n-hexane, chloroform
• Index of refraction = 1.4668 at 20 °C/D
• 194 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 196.21 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
• 194.51 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Regulatory Status

Regulatory & Food Contact	CIR / INCI: Preservative; Solvent

GHS Hazard Classification

Reported hazard statements	H302 (12.2%), H312 (12.2%), H315 (95.9%), H319 (95.9%), H332 (12.2%), H335 (87.8%), H318

Documented Uses

• Hexetidine is used as an antimicrobial preservative in cosmetics and nonparenteral pharmaceutical formulations. Therapeutically, hexetidine is mainly used as a 0.1% w/v solution in mouthwash formulations for the prevention and treatment of minor local infections, gingivitis, and mouth ulcers.
• Fungicide, bactericide, algicide, anti-static agent for synthetics, insect repellant, medicine (antifungal agent)
• THERAPEUTIC CATEGORY: Antiseptic
• THERAPEUTIC CATEGORY (VETERINARY): Antiseptic
• Use (kg; approx.) in Germany (2009): ?250
• Consumption (g per capita; approx.) in Germany (2009): 0.00305

Synonyms

hexetidine; 141-94-6; Oraldene; Hexoral; Sterisil; Hextril; Elsix; Hexetidinum; Hexetidina; 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine; 5-Amino-1,3-bis(2-ethylhexyl)hexahydro-5-methylpyrimidine; NSC-17764; Hexigel; DTXSID1045297; Esetidina; 5-Pyrimidinamine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-

Frequently Asked Questions

What are the CAS number and molecular formula of Hexetidine?

CAS 141-94-6; molecular formula C21H45N3; molecular weight — g/mol.

What other names is Hexetidine known by?

hexetidine, 141-94-6, Oraldene, Hexoral, Sterisil, Hextril.

What is the regulatory status of Hexetidine?

Documented regulatory listings: CIR / INCI: Preservative; Solvent.

Is Hexetidine classified as hazardous?

Hazard statements reported: H302, H312, H315, H319, H332.

What are the key physical properties of Hexetidine?

Boiling Point: 160 °C at 0.4 mm Hg; Melting Point: Freezing point = 70 °C; Density: 0.8889 at 20 °C; LogP: 2.05.

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.