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Heterocyclic building blocks

Kessane

Also known as (1S,2R,5R,6R,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane, (1S,2R,5R,6R,8R)-1,5,9,9-tetramethyl-10-oxatricyclo(6.2.2.02,6)dodecane, 1,4-Ethano-1H-cyclopent(c)oxepin, octahydro-1,3,3,6-tetramethyl-, (1S-(1alpha,4alpha,5abeta,6alpha,8aalpha))-

CAS 3321-66-2Formula C15H26OMolar mass 222.37 g/mol
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Kessane chemical structure, C15H26O, CAS 3321-66-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3321-66-2
Formula
C15H26O
Molar mass
222.37 g/mol
HS code
293299
Category
Heterocyclic building blocks

What is Kessane?

Plain description, key identifiers and synonyms

(1S,2R,5R,6R,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0²,⁶]dodecane has been reported in Valeriana excelsa, Heracleum dissectum, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2R,5R,6R,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane
CAS number
3321-66-2 CAS number cross-checked
Molecular formula
C15H26O
InChIKey
QRVMFXFSGYDNJI-HVNMYJMUSA-N
InChI
InChI=1S/C15H26O/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)16-14(11,2)3/h10-13H,5-9H2,1-4H3/t10-,11-,12-,13-,15+/m1/s1
Canonical SMILES
CC1CCC2C1CC1CCC2(C)OC1(C)C
Isomeric SMILES
C[C@@H]1CC[C@@H]2[C@@H]1C[C@H]3CC[C@@]2(OC3(C)C)C

Synonyms

  • (1S,2R,5R,6R,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane
  • (1S,2R,5R,6R,8R)-1,5,9,9-tetramethyl-10-oxatricyclo(6.2.2.02,6)dodecane
  • 1,4-Ethano-1H-cyclopent(c)oxepin, octahydro-1,3,3,6-tetramethyl-, (1S-(1alpha,4alpha,5abeta,6alpha,8aalpha))-
  • (1S,2S,5S,6S,8S)-1,5,9,9-Tetramethyl-10-oxatricyclo[6.2.2.02,6]dodecane

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
222.37 g/molcalc.
Exact mass
222.1984 Dacalc.
LogP (octanol/water)
4.02calc.
Topological polar surface area
9.23 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
0calc.
Heavy atoms
16calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
5calc.
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, C1CC2CC3CCC(OC3)C2C1

C1CC2CC3CCC(OC3)C2C1

4 rings, 12 atoms.

6 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.

Kessane suppliers

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Kessane 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 Kessane is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Kessane?

(1S,2R,5R,6R,8R)-1,5,9,9-tetramethyl-10-oxatricyclo[6.2.2.0²,⁶]dodecane has been reported in Valeriana excelsa, Heracleum dissectum, and other organisms.

What is the CAS number of Kessane?

The CAS registry number of Kessane is 3321-66-2.

What is the molecular formula and weight of Kessane?

The molecular formula of Kessane is C15H26O and its molar mass is 222.37 g/mol.

What is Kessane used for?

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

Is Kessane hazardous?

No GHS hazard classification for Kessane 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 Kessane?

Kessane is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Kessane?

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

What is the price of Kessane?

Suppliers quote Kessane 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 Kessane

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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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