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Hexetidine chemical structure, C21H45N3, CAS 141-94-6
2D chemical structure

Key facts

What buyers check first

Appearance
Liquid
Melting point
70 ยฐC
Boiling point
160 ยฐC
Density
0.8889 at 20 ยฐC
Solubility
Soluble in petroleum ether, methanol, benzene, acetone, ethanol, n-hexane, chloroform
HS code
293359
Category
Cosmetic preservatives
Illustrative photo, 200 litre blue HDPE drums of liquid in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Hexetidine?

Plain description, key identifiers and synonyms

1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine is an organic heteromonocyclic compound and an organonitrogen heterocyclic compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine
CAS number
141-94-6 CAS number cross-checked
EC number
205-513-5
Molecular formula
C21H45N3
UNII
852A84Y8LS
MDL number
MFCD00010428
INCI name
HEXETIDINE
InChIKey
DTOUUUZOYKYHEP-UHFFFAOYSA-N
InChI
InChI=1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3
SMILES (canonical and isomeric)
CCCCC(CC)CN1CC(CN(C1)CC(CC)CCCC)(C)N

Synonyms

  • 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
  • Hexigel
  • Esetidina
  • 5-Pyrimidinamine, 1,3-bis(2-ethylhexyl)hexahydro-5-methyl-
  • Duranil
  • Oraldine
  • Steri-sol
  • Glypesin
  • Sterilate
  • Triocil
  • Triscol
  • Collu hextril
  • Duranil Aerosol
  • Steri/Sol
  • 1,3-bis(2-ethylhexyl)-5-methylhexahydropyrimidin-5-amine
  • 5-Amino-1,3-bis(2-ethylhexyl)-5-methylhexahydropyrimidine
  • Hexetidine (INN)
Show all 34 synonyms
  • Drossadin
  • Oraseptic
  • Paradenyl
  • Pyrimidine, 5-amino-1,3-bis(2-ethylhexyl)hexahydro-5-methyl-
  • Collu-Hextril
  • Steri/Sol (VAN)
  • Hexetidin
  • Hexocil
  • 1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazaperhydroine-5-ylamine

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Liquidexp.
Melting point
70 ยฐCexp.
Boiling point
160 ยฐCexp.
Density
0.8889 at 20 ยฐCexp.
Solubility
Soluble in petroleum ether, methanol, benzene, acetone, ethanol, n-hexane, chloroformexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
339.61 g/molcalc.
Exact mass
339.3613 Dacalc.
LogP (octanol/water)
4.71calc.
Topological polar surface area
32.5 ร…ยฒcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
12calc.
Heavy atoms
24calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CNCNC1

C1CNCNC1

1 ring, 6 atoms, the 1,3-Diazacyclohexane ring system.

97 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H312Harmful in contact with skin.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H332Harmful if inhaled.
  • H335May cause respiratory irritation.
Precautionary statements (20)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P317Get medical help.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Hexetidine suppliers

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Hexetidine price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

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 classes: Cosmetics.

Cosmetic ingredient, INCI name HEXETIDINE(antimicrobial, oral care, preservative)

Pharmacological actions

  • Anti-Infective Agents, Local
  • Antifungal Agents

Functional uses

  • Preservative

Cosmetic functions

  • Antimicrobial
  • Oral care
  • Preservative

How it is made

Hexetidine is prepared by hydrogenation under pressure of 1,3-bis(2-ethylhexyl)-5-methyl-4-nitrohexahydropyrimidine at 100 ยฐC using Raney nickel as a catalyst.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory
  • EU Cosmetics Regulation Annex V, allowed preservative
    Name: Hexetidine, Ref no: 19, Annex ref: V/19

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Hexetidine is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Hexetidine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Hexetidine, based on the data on this page

What is Hexetidine?

1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine is an organic heteromonocyclic compound and an organonitrogen heterocyclic compound.

What is the CAS number of Hexetidine?

The CAS registry number of Hexetidine is 141-94-6.

What is the molecular formula and weight of Hexetidine?

The molecular formula of Hexetidine is C21H45N3 and its molar mass is 339.61 g/mol.

What is Hexetidine used for?

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.

Is Hexetidine hazardous?

Hexetidine carries the GHS signal word "Warning". Main hazards: harmful if swallowed, harmful in contact with skin, causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Hexetidine?

Hexetidine is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ringโ€ฆ). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Hexetidine?

CompoundList lists 12 suppliers of Hexetidine in United States, China, Czech Republic, Germany and 1 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Hexetidine in India?

1 supplier in India list Hexetidine on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Hexetidine?

Suppliers quote Hexetidine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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