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Synthetic aroma chemicals

2-Octanone

Also known as Octan-2-one, Hexyl methyl ketone, Methyl hexyl ketone

CAS 111-13-7Formula C8H16OMolar mass 128.22 g/molEC 203-837-1
GHS signal word: Warning. Pictograms: Flammable 22 suppliers listed
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2-Octanone chemical structure, C8H16O, CAS 111-13-7
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Colorless liquid
Melting point
-16 °C
Boiling point
172.5 °C
Density
0.820 at 20 °C/4 °C
Flash point
52 °C
HS code
291419
Category
Synthetic aroma chemicals
Illustrative photo, clear colourless liquid in a glass reagent bottle on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is 2-Octanone?

Plain description, key identifiers and synonyms

2-octanone is a methyl ketone that is octane substituted by an oxo group at position 2. It has a role as a metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
octan-2-one
CAS number
111-13-7 CAS number cross-checked
EC number
203-837-1
Molecular formula
C8H16O
UNII
J2G84H29AF
MDL number
MFCD00009540
INCI name
HEXYL METHYL KETONE
InChIKey
ZPVFWPFBNIEHGJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h3-7H2,1-2H3
SMILES (canonical and isomeric)
CCCCCCC(=O)C

Synonyms

  • Octan-2-one
  • Hexyl methyl ketone
  • Methyl hexyl ketone
  • n-Hexyl methyl ketone
  • Methyl n-hexyl ketone
  • 2-Oxooctane
  • Methvlhexanone
  • 2-Octanone (natural)
  • octanone-2
  • octane-2-one
  • 2- octanone
  • n-C6H13COCH3
  • 4-01-00-03339 (Beilstein Handbook Reference)
  • 2-Octanone, analytical standard
  • 2-Octanone, >=98%, FG
  • Octan-2-one, Hexyl methyl ketone
  • 2-Octanone, natural, 98%, FG
  • 2-Octanone, reagent grade, 98%
  • 2-Octanone Solution in Acetone, 100ug/mL
  • 2-Octanone Solution in Acetonitrile, 1000ug/mL

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
Colorless liquidexp.
Odour
FATTY, GREEN CHEESE AROMAexp.
Taste
Camphor tasteexp.
Melting point
-16 °Cexp.
Boiling point
172.5 °Cexp.
Density
0.820 at 20 °C/4 °Cexp.
Flash point
52 °Cexp.
Solubility
In water, 899 mg/L at 20 °Cexp.
Vapour pressure
1.35 mm Hg at 25 °Cexp.

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
128.22 g/molcalc.
Exact mass
128.1201 Dacalc.
LogP (octanol/water)
2.55calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
5calc.
Heavy atoms
9calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.88calc.
Formal charge
0calc.
Stereocentres
0calc.
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
Warning
GHS02: Flammable
Flammable
210NFPA 704 rating

Hazard statements

  • H226Flammable liquid and vapour.
Precautionary statements (11)
  • 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.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • 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

2-Octanone suppliers

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All 22 suppliers
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Where suppliers are based

22 suppliers in 9 countries

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2-Octanone 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

In perfumes, high-boiling solvent, especially for epoxy resin coatings, in leather finishes, flavoring, odorant, anti-blushing agent for nitrocellulose lacquers.

2-Octanone is used as an intermediate and in fragrance compositions.

Useful in cheese flavors.

Consumer uses: Fragrance.

Cosmetic ingredient, INCI name HEXYL METHYL KETONE(perfuming)

Roles

  • metabolite

Functional uses

  • Flavouring and nutrient
  • Fragrance

Cosmetic functions

  • Perfuming

How it is made

By oxidation of methyl hexyl carbinol with K2Cr2O7 and sulfuric acid, also by oxidation of 2-octanol over zinc oxide at 330-340 °C.

By distilling sodium ricinoleate with caustic soda.

2-Octanone is produced industrially by two methods: Reductive condensation of acetone with pentanal ... (and by) oxidation of 1-octene with hydrogen peroxide in the presence of a catalyst containing rhenium oxide or a special palladium-copper catalyst in the presence of nitriles.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

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 2-Octanone is traded under.

HS 2914.19Indicative HS code

Acyclic ketones without other oxygen function, other

World exports in 2024
$264M
+1.7% vs 2023, imports $308M
2019 to 2024
Top exporters
  1. China27.1%
  2. United States27.0%
  3. Germany10.5%
Top importers
  1. China22.8%
  2. United States13.0%
  3. India * partner reported10.7%

* Partner reported figures, a lower bound.

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

The HS code shown for 2-Octanone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2-Octanone, based on the data on this page

What is 2-Octanone?

2-octanone is a methyl ketone that is octane substituted by an oxo group at position 2. It has a role as a metabolite.

What is the CAS number of 2-Octanone?

The CAS registry number of 2-Octanone is 111-13-7.

What is the molecular formula and weight of 2-Octanone?

The molecular formula of 2-Octanone is C8H16O and its molar mass is 128.22 g/mol.

What is 2-Octanone used for?

In perfumes, high-boiling solvent, especially for epoxy resin coatings, in leather finishes, flavoring, odorant, anti-blushing agent for nitrocellulose lacquers. 2-Octanone is used as an intermediate and in fragrance compositions. Useful in cheese flavors. Consumer uses: Fragrance.

Is 2-Octanone hazardous?

2-Octanone carries the GHS signal word "Warning". Main hazards: flammable liquid and vapour. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 2-Octanone?

2-Octanone is usually classified under HS code 291419 (Acyclic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 2-Octanone?

CompoundList lists 22 suppliers of 2-Octanone in China, United States, Egypt, France and 5 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy 2-Octanone in India?

1 supplier in India list 2-Octanone on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of 2-Octanone?

Suppliers quote 2-Octanone 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 2-Octanone

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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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