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Amines and amides

Isometheptene

Also known as Octanil, Isonyl, Octin

CAS 503-01-5Formula C9H19NMolar mass 141.26 g/molEC 207-959-6
GHS signal word: Danger. Pictograms: Flammable, Corrosive, Harmful or irritant
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Isometheptene chemical structure, C9H19N, CAS 503-01-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
503-01-5
Formula
C9H19N
Molar mass
141.26 g/mol
Physical form
Liquid
HS code
292119
Category
Amines and amides
Illustrative photo, closed blue steel drums of liquid in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is Isometheptene?

Plain description, key identifiers and synonyms

Isometheptene is a secondary amino compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N,6-dimethylhept-5-en-2-amine
CAS number
503-01-5 CAS number cross-checked
EC number
207-959-6
Molecular formula
C9H19N
UNII
Y7L24THH6T
InChIKey
XVQUOJBERHHONY-UHFFFAOYSA-N
InChI
InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3
SMILES (canonical and isomeric)
CC(CCC=C(C)C)NC

Synonyms

  • Octanil
  • Isonyl
  • Octin
  • 6-Methylamino-2-methylheptene
  • 5-Hepten-2-amine, N,6-dimethyl-
  • Isometepteno
  • Isometheptenum
  • Methyloctenylamine
  • methyl(6-methylhept-5-en-2-yl)amine
  • N,6-Dimethyl-5-hepten-2-amine
  • N,1,5-Trimethyl-4-hexenylamine
  • 2-Methyl-6-methylamino-2-heptene
  • 4-Hexenylamine, N,1,5-trimethyl-
  • isometeptene
  • Octinum
  • N,6-dimethylhept-5-en-2-amine
  • Octon
  • Methylisooctenylamine
  • Isonyl, Octanil, Octin, Octine, Octinum
  • Octine
  • 6-Methylamino-2-methyl-2-heptene
  • N,6-Dimethyl-5-hepten-2-amine #

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.

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
141.26 g/molcalc.
Exact mass
141.1518 Dacalc.
LogP (octanol/water)
2.34calc.
Topological polar surface area
12.03 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
4calc.
Heavy atoms
10calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.78calc.
Formal charge
0calc.
Stereocentres
1calc.
Lipinski rule of five
Passes (0 violations)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
GHS02: Flammable
Flammable
GHS05: Corrosive
Corrosive
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H226Flammable liquid and vapour.
  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H318Causes serious eye damage.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (30)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P233Keep container tightly closed.
  • P240Ground and bond container and receiving equipment.
  • P241Use explosion-proof electrical, ventilating and lighting equipment.
  • P242Use non-sparking tools.
  • P243Take action to prevent static discharges.
  • 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.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • 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.
  • P305 + P354 + P338If in eyes: Immediately rinse 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.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • 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

Isometheptene suppliers

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Isometheptene 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

Use classes: Pharmaceuticals.

Functional uses

  • Pharmaceutical

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU Cosmetics Regulation Annex II, prohibited in cosmetics
    Name: Isometheptene (INN) and its salts, Ref no: 228, Annex ref: II/228

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 Isometheptene is traded under.

HS 2921.19Indicative HS code

Acyclic monoamines and their derivatives, salts thereof, other

World exports in 2024
$1.21B
+4.0% vs 2023, imports $1.16B
2019 to 2024
Top exporters
  1. China35.5%
  2. United States17.9%
  3. Germany16.4%
Top importers
  1. United States14.1%
  2. South Korea9.7%
  3. Japan8.4%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Isometheptene?

Isometheptene is a secondary amino compound.

What is the CAS number of Isometheptene?

The CAS registry number of Isometheptene is 503-01-5.

What is the molecular formula and weight of Isometheptene?

The molecular formula of Isometheptene is C9H19N and its molar mass is 141.26 g/mol.

What is Isometheptene used for?

Use classes: Pharmaceuticals.

Is Isometheptene hazardous?

Isometheptene carries the GHS signal word "Danger". Main hazards: flammable liquid and vapour, harmful if swallowed, causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Isometheptene?

Isometheptene is usually classified under HS code 292119 (Acyclic monoamines and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isometheptene?

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What is the price of Isometheptene?

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Guides for buyers

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

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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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