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Heterocyclic building blocks

Khellactone

Also known as cis-Khellactone, 9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one, 9,10-dihydroxy-8,8-dimethyl-2H,8H,9H,10H-pyrano[2,3-h]chromen-2-one

CAS 518-76-3Formula C14H14O5Molar mass 262.26 g/mol
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Khellactone chemical structure, C14H14O5, CAS 518-76-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
518-76-3
Formula
C14H14O5
Molar mass
262.26 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Khellactone?

Plain description, key identifiers and synonyms

9,10-dihydroxy-8,8-dimethyl-2H,8H,9H,10H-pyrano[2,3-h]chromen-2-one is a member of coumarins.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
CAS number
518-76-3
Molecular formula
C14H14O5
UNII
UR04OK5S60
InChIKey
HKXQUNNSKMWIKJ-UHFFFAOYSA-N
InChI
InChI=1S/C14H14O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6,11,13,16-17H,1-2H3
SMILES (canonical and isomeric)
CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O)O)C

Synonyms

  • cis-Khellactone
  • 9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
  • 9,10-dihydroxy-8,8-dimethyl-2H,8H,9H,10H-pyrano[2,3-h]chromen-2-one
  • (rac)-Khellactone
  • (+/-)-cis-Khellactone
  • 6-Chromanacrylic acid,4,5-trihydroxy-2,2-dimethyl-, delta-lactone
  • 9,10-dihydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-]chromen-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
262.26 g/molcalc.
Exact mass
262.0841 Dacalc.
LogP (octanol/water)
1.36calc.
Topological polar surface area
79.9 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
0calc.
Heavy atoms
19calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
2calc.
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, O=c1ccc2ccc3c(c2o1)CCCO3

O=c1ccc2ccc3c(c2o1)CCCO3

3 rings, 15 atoms.

98 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.

Khellactone suppliers

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Khellactone 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 Khellactone is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Khellactone?

9,10-dihydroxy-8,8-dimethyl-2H,8H,9H,10H-pyrano[2,3-h]chromen-2-one is a member of coumarins.

What is the CAS number of Khellactone?

The CAS registry number of Khellactone is 518-76-3.

What is the molecular formula and weight of Khellactone?

The molecular formula of Khellactone is C14H14O5 and its molar mass is 262.26 g/mol.

What is Khellactone used for?

Known uses and roles of Khellactone include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Khellactone hazardous?

No GHS hazard classification for Khellactone 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 Khellactone?

Khellactone is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Khellactone?

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

What is the price of Khellactone?

Suppliers quote Khellactone 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 Khellactone

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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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