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gamma-IONONE chemical structure, C13H20O, CAS 79-76-5
2D chemical structure

Key facts

What buyers check first

CAS number
79-76-5
Formula
C13H20O
Molar mass
192.30 g/mol
EC number
201-223-8
HS code
291429
Category
Impurities and reference standards

What is gamma-IONONE?

Plain description, key identifiers and synonyms

Gamma-ionone is an ionone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-3-en-2-one
CAS number
79-76-5Other or deprecated CAS: 49816-69-5
EC number
201-223-8
Molecular formula
C13H20O
UNII
A1LVV75YWS
InChIKey
SFEOKXHPFMOVRM-BQYQJAHWSA-N
InChI
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,12H,1,5-6,9H2,2-4H3/b8-7+
Canonical SMILES
C=C1CCCC(C)(C)C1C=CC(C)=O
Isomeric SMILES
CC(=O)/C=C/C1C(=C)CCCC1(C)C

Synonyms

  • gamma-lonone
  • gamma-Ionon
  • Ionone, gamma-
  • g-Ionone
  • 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-
  • (3E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-3-en-2-one
  • 4-(2-Methylene-6,6-dimethylcyclohexyl)-3-buten-2-one
  • (3E)-4-(2,2-Dimethyl-6-methylenecyclohexyl)-3-buten-2-one
  • 4-(2,2-Dimethyl-6-methylenecyclohexyl)-3-buten-2-one, 9CI
  • 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-, (3E)-
  • 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-, (E)-
  • g-Ionon
  • Laquo gammaraquo-ionone
  • (+-)-gamma-Ionone
  • 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-, (E)-(+-)-
  • 4-(2,2-Dimethyl-6-methylenecyclohexyl)-3-buten-2-one
  • (E)-4-(2,2-dimethyl-6-methylidenecyclohexyl)but-3-en-2-one
  • (E)-4-(2,2-Dimethyl-6-methylenecyclohexyl)but-3-en-2-one
  • Tretinoin Impurity 15
  • laquo gammaRaquo -ionone
  • Isotretinoin Impurity 12
  • 4-(2,2-dimethyl-6-methylene-cyclohexyl)but-3-en-2-one
  • (+/-)-gamma-ionone
  • (3E)-4-(2,2-Dimethyl-6-methylenecyclohexyl)-3-buten-2-one #
  • 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-, (E)-(+/-)-

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
192.30 g/molcalc.
Exact mass
192.1514 Dacalc.
LogP (octanol/water)
3.51calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
2calc.
Heavy atoms
14calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.62calc.
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, C=C1CCCCC1

C=C1CCCCC1

1 ring, 7 atoms, the Methylenecyclohexane ring system.

761 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS classification
Hazard pictograms
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H411Toxic to aquatic life with long lasting effects.
Precautionary statements (3)
  • P273Avoid release to the environment.
  • 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

gamma-IONONE suppliers

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gamma-IONONE 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

  • Flavouring and nutrient
  • Fragrance

Regulatory status

Inventories, regulations and trade controls that list this substance

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 gamma-IONONE 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 gamma-IONONE is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about gamma-IONONE, based on the data on this page

What is gamma-IONONE?

Gamma-ionone is an ionone.

What is the CAS number of gamma-IONONE?

The CAS registry number of gamma-IONONE is 79-76-5. Other or deprecated CAS numbers: 49816-69-5.

What is the molecular formula and weight of gamma-IONONE?

The molecular formula of gamma-IONONE is C13H20O and its molar mass is 192.30 g/mol.

What is gamma-IONONE used for?

Known uses and roles of gamma-IONONE include flavouring and nutrient and fragrance.

Is gamma-IONONE hazardous?

gamma-IONONE has a GHS hazard classification. Main hazards: 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 gamma-IONONE?

gamma-IONONE 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 gamma-IONONE?

CompoundList lists 1 supplier of gamma-IONONE in Haiti. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of gamma-IONONE?

Suppliers quote gamma-IONONE on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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