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Pentaethylenehexamine chemical structure, C10H28N6, CAS 4067-16-7
2D chemical structure

Key facts

What buyers check first

Physical form
Liquid
Boiling point
350 to 390
Density
1 at 68 °F
Flash point
>93.3
Solubility
Greater than or equal to 100 mg/mL at 70 °F
HS code
292129
Category
Aliphatic and alicyclic building blocks
UN number
UN 2735
Illustrative photo, 200 litre steel drums of liquid in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is Pentaethylenehexamine?

Plain description, key identifiers and synonyms

Yellowish liquid with an odor of ammonia. (USCG, 1999)

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CAS number
4067-16-7 CAS number cross-checked
EC number
223-775-9
Molecular formula
C10H28N6
UNII
9K5VZU43LE
MDL number
MFCD00008167
InChIKey
LSHROXHEILXKHM-UHFFFAOYSA-N
InChI
InChI=1S/C10H28N6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h13-16H,1-12H2
SMILES (canonical and isomeric)
C(CNCCNCCNCCNCCN)N

Synonyms

  • PEHA
  • 3,6,9,12-Tetraazatetradecane-1,14-diamine
  • 3,6,9,12-Tetraazatetradecamethylenediamine
  • 1,4,7,10,13,16-hexaazahexadecane
  • Pentaen
  • N1,N1'-(Ethane-1,2-diyl)bis(N2-(2-aminoethyl)ethane-1,2-diamine)
  • N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
  • 4-04-00-01245 (Beilstein Handbook Reference)
  • Pentaethylenexamine
  • pentaethylene hexamine
  • 98% mixture of isomers
  • Pentaethylenehexamine, tech grade
  • Pentaethylenehexamine, technical grade
  • 1,2-Bis((2-((2-aminoethyl)amino)ethyl)amino)ethane
  • N1,N1'-(Ethane-1,2-diyl), bis(N2-(2-aminoethyl), ethane-1,2-diamine),

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

Physical form
Liquidexp.
Boiling point
350 to 390exp.
Density
1 at 68 °Fexp.
Flash point
>93.3exp.
Autoignition temperature
360 °Cexp.
Solubility
Greater than or equal to 100 mg/mL at 70 °Fexp.

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
232.38 g/molcalc.
Exact mass
232.2375 Dacalc.
LogP (octanol/water)
-2.74calc.
Topological polar surface area
100.2 Ųcalc.
Hydrogen bond donors
6calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
13calc.
Heavy atoms
16calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS07: Harmful or irritant
Harmful or irritant
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H314Causes severe skin burns and eye damage.
  • H317May cause an allergic skin reaction.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (19)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P330 + P331If swallowed: Rinse mouth. Do not induce vomiting.
  • P302 + P352If on skin: Wash with plenty of water.
  • P302 + P361 + P354If on skin: Take off immediately all contaminated clothing. Immediately rinse with water for several minutes.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P363Wash contaminated clothing before reuse.
  • P391Collect spillage.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 2735

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

Pentaethylenehexamine suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 9 suppliers
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Where suppliers are based

9 suppliers in 7 countries

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Pentaethylenehexamine 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

Industrial uses: Fuel agents, Adhesion/cohesion promoter, Flotation agent, Intermediate.

Regulatory status

Inventories, regulations and trade controls that list this substance

Europe

  • EU harmonised classification (CLP Annex VI)
    Index no: 612-064-00-2

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 Pentaethylenehexamine is traded under.

HS 2921.29Indicative HS code

Acyclic polyamines and their derivatives, salts thereof, other

World exports in 2024
$1.16B
+1.0% vs 2023, imports $1.12B
2019 to 2024
Top exporters
  1. Japan16.6%
  2. China14.4%
  3. Netherlands13.6%
Top importers
  1. China15.2%
  2. United States11.2%
  3. Germany8.0%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Pentaethylenehexamine?

Yellowish liquid with an odor of ammonia. (USCG, 1999)

What is the CAS number of Pentaethylenehexamine?

The CAS registry number of Pentaethylenehexamine is 4067-16-7.

What is the molecular formula and weight of Pentaethylenehexamine?

The molecular formula of Pentaethylenehexamine is C10H28N6 and its molar mass is 232.38 g/mol.

What is Pentaethylenehexamine used for?

Industrial uses: Fuel agents, Adhesion/cohesion promoter, Flotation agent, Intermediate.

Is Pentaethylenehexamine hazardous?

Pentaethylenehexamine carries the GHS signal word "Danger". Main hazards: causes severe skin burns and eye damage, may cause an allergic skin reaction, very toxic to aquatic life. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Pentaethylenehexamine?

Pentaethylenehexamine is usually classified under HS code 292129 (Acyclic polyamines and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pentaethylenehexamine?

CompoundList lists 9 suppliers of Pentaethylenehexamine in Germany, United States, Argentina, Belgium and 3 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Pentaethylenehexamine in India?

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

What is the price of Pentaethylenehexamine?

Suppliers quote Pentaethylenehexamine 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 Pentaethylenehexamine

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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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