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Impurities and reference standards

Methylionone

Also known as Ionone, methyl-, Methyl ionone, alpha-methyl ionone

CAS 1335-46-2Formula C14H22OMolar mass 206.33 g/molEC 204-842-1
GHS signal word: Warning. Pictograms: Harmful or irritant, Hazardous to the environment 15 suppliers listed
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Methylionone chemical structure, C14H22O, CAS 1335-46-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1335-46-2
Formula
C14H22O
Molar mass
206.33 g/mol
Physical form
Liquid
HS code
291429
Category
Impurities and reference standards
Illustrative photo, closed amber glass reagent bottles on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Methylionone?

Plain description, key identifiers and synonyms

1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one is a sesquiterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
CAS number
1335-46-2 CAS number cross-checkedOther or deprecated CAS: 127-42-4, 1322-70-9, 7779-30-8, 93302-56-8
EC numbers
204-842-1, 215-635-0, 231-926-5
Molecular formula
C14H22O
INCI name
METHYL ALPHA-IONONE ISOMERS
InChIKey
VPKMGDRERYMTJX-CMDGGOBGSA-N
InChI
InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h7-9,13H,5-6,10H2,1-4H3/b9-8+
Canonical SMILES
CCC(=O)C=CC1C(C)=CCCC1(C)C
Isomeric SMILES
CCC(=O)/C=C/C1C(=CCCC1(C)C)C

Synonyms

  • Ionone, methyl-
  • Methyl ionone
  • alpha-methyl ionone
  • alpha-Cetone
  • (E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
  • 1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
  • Methyl-alpha-ionone
  • 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
  • 5-(2,6,6-Trimethyl-2-cyclohexenyl)-4-penten-3-one
  • alpha-Methylionone
  • 1-(2,6,6-Trimethyl-2-cyclohexene-1-yl)-1-penten-3-one
  • (1E)-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
  • Cetone, alpha-
  • Methylionone, alpha-
  • (e)-1-(2,6,6-trimethylcyclohex-2-enyl)pent-1-en-3-one
  • (1E)-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one
  • 1-Penten-3-one, 1-((1R)-2,6,6-trimethyl-2-cyclohexen-1-yl)-, (1E)-
  • Methyl-Ionone
  • Methyl ionone 3
  • N-Methyl-a-ionone
  • 1-Methyl-a-ionone
  • Ionone Impurity 16
  • alpha-N-Methyl ionone
  • Vpkmgdrerymtjx-cmdggobgsa-
  • (R-(E))-1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)pent-1-en-3-one
Show all 33 synonyms
  • 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- (VAN)
  • 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-, (theta-(E))-
  • 1-2,6,6-Trimethylcyclohex-2-en-1-yl
  • 1-2,6,6-Trimethylcyclohex-2-en-1-yl, pent-1-en-3-one
  • 1-(2,2,6-Trimethylcyclohex-2-en-1-yl)-1-penten-3-one
  • 1-(2,6,6-Trimethylcyclohex-2-en-1-yl)-1-pentene-3-one
  • 1-Penten-3-one,6,6-trimethyl-2-cyclohexen-1-yl)- (VA
  • Methylionone (mixture of |A- and |A-, predominantly |A-n-isomer)

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
206.33 g/molcalc.
Exact mass
206.1671 Dacalc.
LogP (octanol/water)
3.9calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
3calc.
Heavy atoms
15calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.64calc.
Formal charge
0calc.
Stereocentres
1calc.
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, C1=CCCCC1

C1=CCCCC1

1 ring, 6 atoms, the Cyclohexene ring system.

5,167 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
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H411Toxic to aquatic life with long lasting effects.
Precautionary statements (12)
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • 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.
  • P391Collect spillage.
  • 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

Methylionone suppliers

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

All 15 suppliers
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Where suppliers are based

15 suppliers in 6 countries

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Methylionone 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: Fragrance.

Consumer uses: Fragrance.

Cosmetic ingredient, INCI name METHYL ALPHA-IONONE ISOMERS(perfuming)

Functional uses

  • Fragrance

Cosmetic functions

  • Perfuming

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 Methylionone is traded under.

HS 2914.29Indicative HS code

Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other

World exports in 2024
$1B
+6.6% vs 2023, imports $980M
2019 to 2024
Top exporters
  1. China32.5%
  2. India * partner reported12.9%
  3. Germany12.3%
Top importers
  1. United States15.7%
  2. Japan8.7%
  3. Germany8.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Methylionone?

1-(2,6,6-Trimethyl-2-cyclohexen-1-yl)-1-penten-3-one is a sesquiterpenoid.

What is the CAS number of Methylionone?

The CAS registry number of Methylionone is 1335-46-2. Other or deprecated CAS numbers: 127-42-4, 1322-70-9, 7779-30-8.

What is the molecular formula and weight of Methylionone?

The molecular formula of Methylionone is C14H22O and its molar mass is 206.33 g/mol.

What is Methylionone used for?

Industrial uses: Fragrance. Consumer uses: Fragrance.

Is Methylionone hazardous?

Methylionone carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, toxic to aquatic life with long lasting effects. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Methylionone?

Methylionone is usually classified under HS code 291429 (Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Methylionone?

CompoundList lists 15 suppliers of Methylionone in United States, China, India, Haiti and 2 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Methylionone in India?

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

What is the price of Methylionone?

Suppliers quote Methylionone 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 Methylionone

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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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