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Aliphatic and alicyclic building blocks

Dimethylionone

Also known as 2-Methyl-1-(2,2,6-trimethylcyclohexen-1-yl)-1-penten-3-one, 1-Penten-3-one, 2-methyl-1-(2,2,6-trimethylcyclohexenyl)-, 1,3-Dimethyl-alpha-ionone

CAS 72117-72-7Formula C15H24OMolar mass 220.36 g/molEC 271-463-6
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Dimethylionone chemical structure, C15H24O, CAS 72117-72-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
72117-72-7
Formula
C15H24O
Molar mass
220.36 g/mol
EC number
271-463-6
HS code
291429
Category
Aliphatic and alicyclic building blocks

What is Dimethylionone?

Plain description, key identifiers and synonyms

Dimethylionone is a chemical substance with the molecular formula C15H24O and a molar mass of 220.36 g/mol. Its CAS registry number is 72117-72-7. The IUPAC name is (E)-2-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-2-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
CAS number
72117-72-7Other or deprecated CAS: 68555-94-2
EC number
271-463-6
Molecular formula
C15H24O
UNII
7FHT56106E
InChIKey
UNAJREJGSQDJGU-ZRDIBKRKSA-N
InChI
InChI=1S/C15H24O/c1-6-14(16)12(3)10-13-11(2)8-7-9-15(13,4)5/h8,10,13H,6-7,9H2,1-5H3/b12-10+
Canonical SMILES
CCC(=O)C(C)=CC1C(C)=CCCC1(C)C
Isomeric SMILES
CCC(=O)/C(=C/C1C(=CCCC1(C)C)C)/C

Synonyms

  • 2-Methyl-1-(2,2,6-trimethylcyclohexen-1-yl)-1-penten-3-one
  • 1-Penten-3-one, 2-methyl-1-(2,2,6-trimethylcyclohexenyl)-
  • 1,3-Dimethyl-alpha-ionone
  • alpha-Cyclocitrylidene-4-methylbutan-3-one
  • 3-07-00-00686 (Beilstein Handbook Reference)
  • 1-Penten-3-one, 1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-methyl-

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
220.36 g/molcalc.
Exact mass
220.1827 Dacalc.
LogP (octanol/water)
4.29calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
3calc.
Heavy atoms
16calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.67calc.
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

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.

Dimethylionone suppliers

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Dimethylionone 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

Functional uses

  • Fragrance

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Inactive in US commerce, Regulatory flags: Added by a premanufacture notice

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Dimethylionone 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 Dimethylionone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Dimethylionone?

Dimethylionone is a chemical substance with the molecular formula C15H24O and a molar mass of 220.36 g/mol. Its CAS registry number is 72117-72-7. The IUPAC name is (E)-2-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one.

What is the CAS number of Dimethylionone?

The CAS registry number of Dimethylionone is 72117-72-7. Other or deprecated CAS numbers: 68555-94-2.

What is the molecular formula and weight of Dimethylionone?

The molecular formula of Dimethylionone is C15H24O and its molar mass is 220.36 g/mol.

What is Dimethylionone used for?

Known uses and roles of Dimethylionone include building blocks in research and laboratory, screening compounds in research and laboratory and fragrance.

Is Dimethylionone hazardous?

No GHS hazard classification for Dimethylionone 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 Dimethylionone?

Dimethylionone 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 Dimethylionone?

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What is the price of Dimethylionone?

Suppliers quote Dimethylionone 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 Dimethylionone

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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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