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Synthetic aroma chemicals

beta-Irone

Also known as 6-Methyl-beta-ionone, beta-Ionone, 6-methyl-, 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-

CAS 79-70-9Formula C14H22OMolar mass 206.33 g/molEC 201-220-1
GHS signal word: Warning. Pictograms: Harmful or irritant
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beta-Irone chemical structure, C14H22O, CAS 79-70-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
79-70-9
Formula
C14H22O
Molar mass
206.33 g/mol
EC number
201-220-1
HS code
291429
Category
Synthetic aroma chemicals

What is beta-Irone?

Plain description, key identifiers and synonyms

β-irone has been reported in Iris sibirica.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-4-(2,5,6,6-tetramethylcyclohexen-1-yl)but-3-en-2-one
CAS number
79-70-9 CAS number cross-checkedOther or deprecated CAS: 72074-84-1
EC number
201-220-1
Molecular formula
C14H22O
UNII
W8NW93JQ9H
INCI name
5-METHYL-BETA-IONONE
InChIKey
BGKCUGPVLVNPSG-CMDGGOBGSA-N
InChI
InChI=1S/C14H22O/c1-10-6-7-11(2)14(4,5)13(10)9-8-12(3)15/h8-9,11H,6-7H2,1-5H3/b9-8+
Canonical SMILES
CC(=O)C=CC1=C(C)CCC(C)C1(C)C
Isomeric SMILES
CC1CCC(=C(C1(C)C)/C=C/C(=O)C)C

Synonyms

  • 6-Methyl-beta-ionone
  • beta-Ionone, 6-methyl-
  • 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-
  • 2-Methyl-beta-ionone
  • 4-(2,5,6,6-Tetramethyl-1-cyclohexenyl)but-3-en-2-one
  • 4-(2,5,6,6-Tetramehtyl-1-cyclohexenyl)-3-buten-2-one
  • 3-Buten-2-one, 4-(2,5,6,6-tetramethyl-1-cyclohexen-1-yl)-, (3E)-
  • (E)-4-(2,5,6,6-tetramethylcyclohexen-1-yl)but-3-en-2-one
  • (+)-b-Irone
  • (+-)-BETA-IRONE
  • BETA-IRONE, (+-)-
  • (+/-)-beta-irone
  • 4-(2,5,6,6-Tetramethyl-1-cyclohexen-1-yl)-3-buten-2-one
  • beta-Irone, (+/-)-
  • 4-(2,5,6,6-tetramethylcyclohex-1-en-1-yl)but-3-en-2-one
  • (3E)-4-(2,5,6,6-tetramethylcyclohex-1-en-1-yl)but-3-en-2-one
  • 4-(2,5,6,6-Tetramethyl-1-cyclohexen-1-yl)-3-buten-2-one #

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
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
2calc.
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

Hazard statements

  • H317May cause an allergic skin reaction.
  • H412Harmful to aquatic life with long lasting effects.
Precautionary statements (9)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • 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.
  • P302 + P352If on skin: Wash with plenty of water.
  • 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.
  • 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

beta-Irone suppliers

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beta-Irone 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

Cosmetic ingredient, INCI name 5-METHYL-BETA-IONONE(perfuming)

Functional uses

  • Flavouring and nutrient
  • 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 beta-Irone 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 beta-Irone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about beta-Irone, based on the data on this page

What is beta-Irone?

β-irone has been reported in Iris sibirica.

What is the CAS number of beta-Irone?

The CAS registry number of beta-Irone is 79-70-9. Other or deprecated CAS numbers: 72074-84-1.

What is the molecular formula and weight of beta-Irone?

The molecular formula of beta-Irone is C14H22O and its molar mass is 206.33 g/mol.

What is beta-Irone used for?

Known uses and roles of beta-Irone include fragrance ingredients in cosmetics and personal care, fragrance ingredients in flavors and fragrances, aldehydes and ketones in flavors and fragrances, perfuming, flavouring and nutrient and 1 more.

Is beta-Irone hazardous?

beta-Irone carries the GHS signal word "Warning". Main hazards: may cause an allergic skin reaction, harmful 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 beta-Irone?

beta-Irone 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 beta-Irone?

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What is the price of beta-Irone?

Suppliers quote beta-Irone 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

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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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