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Aliphatic and alicyclic building blocks

beta-Atlantone

Also known as 1,5-Heptadien-4-one, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (R)-, 6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-1,5-dien-4-one, 6-methyl-2-((1R)-4-methylcyclohex-3-en-1-yl)hepta-1,5-dien-4-one

CAS 38331-79-2Formula C15H22OMolar mass 218.34 g/mol
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beta-Atlantone chemical structure, C15H22O, CAS 38331-79-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
38331-79-2
Formula
C15H22O
Molar mass
218.34 g/mol
HS code
291429
Category
Aliphatic and alicyclic building blocks

What is beta-Atlantone?

Plain description, key identifiers and synonyms

beta-atlantone has been reported in Curcuma xanthorrhiza.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-1,5-dien-4-one
CAS number
38331-79-2 CAS number cross-checked
Molecular formula
C15H22O
UNII
4PD4ATF42Y
InChIKey
LRDZCBICVMXPBB-AWEZNQCLSA-N
InChI
InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9,14H,4,6-8,10H2,1-3H3/t14-/m0/s1
Canonical SMILES
C=C(CC(=O)C=C(C)C)C1CC=C(C)CC1
Isomeric SMILES
CC1=CC[C@@H](CC1)C(=C)CC(=O)C=C(C)C

Synonyms

  • 1,5-Heptadien-4-one, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-, (R)-
  • 6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-1,5-dien-4-one
  • 6-methyl-2-((1R)-4-methylcyclohex-3-en-1-yl)hepta-1,5-dien-4-one
  • (+)-beta-Atlantone
  • Atlantone, beta-
  • 1,5-Heptadien-4-one, 6-methyl-2-[(1R)-4-methyl-3-cyclohexen-1-yl]-
  • 6-Methyl-2-(4-methylcyclohex-3-en-1-yl)hepta-1,5-dien-4-one
  • 6-Methyl-2-[(1R)-4-methyl-3-cyclohexen-1-yl]-1,5-heptadien-4-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
218.34 g/molcalc.
Exact mass
218.1671 Dacalc.
LogP (octanol/water)
4.21calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
4calc.
Heavy atoms
16calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.53calc.
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.

beta-Atlantone suppliers

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beta-Atlantone 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

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

Frequently asked questions

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

What is beta-Atlantone?

beta-atlantone has been reported in Curcuma xanthorrhiza.

What is the CAS number of beta-Atlantone?

The CAS registry number of beta-Atlantone is 38331-79-2.

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

The molecular formula of beta-Atlantone is C15H22O and its molar mass is 218.34 g/mol.

What is beta-Atlantone used for?

Known uses and roles of beta-Atlantone include building blocks in research and laboratory and screening compounds in research and laboratory.

Is beta-Atlantone hazardous?

No GHS hazard classification for beta-Atlantone 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 beta-Atlantone?

beta-Atlantone 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-Atlantone?

Post a free request on CompoundList and suppliers of beta-Atlantone will send you quotes. Your contact details stay private until you accept a quote.

What is the price of beta-Atlantone?

Suppliers quote beta-Atlantone 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 beta-Atlantone

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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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