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Cationic surfactants

Irlbacholine

Also known as 22-[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxydocosyl 2-(trimethylazaniumyl)ethyl phosphate, 22-(oxido-(2-(trimethylazaniumyl)ethoxy)phosphoryl)oxydocosyl 2-(trimethylazaniumyl)ethyl phosphate, 1,22-Bis[[[2-(trimethylammonium)ethoxyl]-phosphinyl]oxy]docosane

CAS 156832-61-0Formula C32H70N2O8P2Molar mass 672.87 g/mol
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Irlbacholine chemical structure, C32H70N2O8P2, CAS 156832-61-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
156832-61-0
Formula
C32H70N2O8P2
Molar mass
672.87 g/mol
HS code
292390
Category
Cationic surfactants

What is Irlbacholine?

Plain description, key identifiers and synonyms

Irlbacholine has been reported in Chelonanthus alatus.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
22-[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxydocosyl 2-(trimethylazaniumyl)ethyl phosphate
CAS number
156832-61-0 CAS number cross-checked
Molecular formula
C32H70N2O8P2
InChIKey
PUNFUIMDUBRENC-UHFFFAOYSA-N
InChI
InChI=1S/C32H70N2O8P2/c1-33(2,3)27-31-41-43(35,36)39-29-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-30-40-44(37,38)42-32-28-34(4,5)6/h7-32H2,1-6H3
SMILES (canonical and isomeric)
C[N+](C)(C)CCOP(=O)([O-])OCCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C

Synonyms

  • 22-[oxido-[2-(trimethylazaniumyl)ethoxy]phosphoryl]oxydocosyl 2-(trimethylazaniumyl)ethyl phosphate
  • 22-(oxido-(2-(trimethylazaniumyl)ethoxy)phosphoryl)oxydocosyl 2-(trimethylazaniumyl)ethyl phosphate
  • 1,22-Bis[[[2-(trimethylammonium)ethoxyl]-phosphinyl]oxy]docosane
  • Docosane-1,22-diyl bis[2-(trimethylazaniumyl)ethyl] bis(phosphate)
  • 2-[hydroxy-[22-[hydroxy-[2-(trimethylammonio)ethoxy]phosphoryl]oxydocosoxy]phosphoryl]oxyethyl-trimethyl-ammonium

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
672.87 g/molcalc.
Exact mass
672.4607 Dacalc.
LogP (octanol/water)
7.2calc.
Topological polar surface area
117.2 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
33calc.
Heavy atoms
44calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Irlbacholine suppliers

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Irlbacholine 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

Industries and functions

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2923.90Indicative HS code

Quaternary ammonium salts and hydroxides whether or not chemically defined not elsewhere classified…

World exports in 2024
$1.07B
+14.4% vs 2023, imports $1.16B
2019 to 2024
Top exporters
  1. China36.7%
  2. United States14.2%
  3. Netherlands9.4%
Top importers
  1. South Korea10.7%
  2. Germany10.1%
  3. United States9.9%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Irlbacholine?

Irlbacholine has been reported in Chelonanthus alatus.

What is the CAS number of Irlbacholine?

The CAS registry number of Irlbacholine is 156832-61-0.

What is the molecular formula and weight of Irlbacholine?

The molecular formula of Irlbacholine is C32H70N2O8P2 and its molar mass is 672.87 g/mol.

What is Irlbacholine used for?

Known uses and roles of Irlbacholine include surfactants in home care and cleaning.

Is Irlbacholine hazardous?

No GHS hazard classification for Irlbacholine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Irlbacholine?

Irlbacholine is usually classified under HS code 292390 (Quaternary ammonium salts and hydroxides, lecithins and other phosphoaminolipids…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Irlbacholine?

Post a free request on CompoundList and suppliers of Irlbacholine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Irlbacholine?

Suppliers quote Irlbacholine 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

Practical guides that help when you source, ship or handle Irlbacholine

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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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