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Hydrocarbons

(-)-alpha-Isocomene

Also known as (1R,3aS,5aS,8aR)-1,3a,4,5a-tetramethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene, (1R,2R,5S,8S)-2,5,6,8-tetramethyltricyclo[6.3.0.01,5]undec-6-ene, (1R,2R,5S,8S)-2,5,6,8-tetramethyltricyclo(6.3.0.01,5)undec-6-ene

CAS 65372-78-3Formula C15H24Molar mass 204.36 g/mol
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(-)-alpha-Isocomene chemical structure, C15H24, CAS 65372-78-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
65372-78-3
Formula
C15H24
Molar mass
204.36 g/mol
HS code
290219
Category
Hydrocarbons

What is (-)-alpha-Isocomene?

Plain description, key identifiers and synonyms

(-)-alpha-isocomene is a tricyclic sesquiterpene that is 1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene bearing four methyl substituents at positions 1, 3a, 4 and 5a. It has a role as a volatile oil component and a plant metabolite. It is a sesquiterpene and a carbotricyclic compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2R,5S,8S)-2,5,6,8-tetramethyltricyclo[6.3.0.01,5]undec-6-ene
CAS number
65372-78-3Other or deprecated CAS: 71629-00-0
Molecular formula
C15H24
UNII
43646R6R9K, UF2Y987D5F
InChIKey
SAOJPWFHRMUCFN-UQOMUDLDSA-N
InChI
InChI=1S/C15H24/c1-11-6-9-14(4)12(2)10-13(3)7-5-8-15(11,13)14/h10-11H,5-9H2,1-4H3/t11-,13+,14+,15-/m1/s1
Canonical SMILES
CC1=CC2(C)CCCC23C(C)CCC13C
Isomeric SMILES
C[C@@H]1CC[C@@]2([C@]13CCC[C@]3(C=C2C)C)C

Synonyms

  • (1R,3aS,5aS,8aR)-1,3a,4,5a-tetramethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene
  • (1R,2R,5S,8S)-2,5,6,8-tetramethyltricyclo[6.3.0.01,5]undec-6-ene
  • (1R,2R,5S,8S)-2,5,6,8-tetramethyltricyclo(6.3.0.01,5)undec-6-ene
  • (1R,3aS,5aS,8aR)-1,3a,4,5a-Tetramethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta(c)pentalene
  • Berkheyaradulene
  • alpha-Isocomene
  • Cyclopenta(a)pentalene, 1,2,3,3a,5a,6,7,8-octahydro-1,3a,4,5a-tetramethyl-, (S-(1alpha,3aalpha,5abeta,8aR*))-
  • Isocomene, (+/-)-
  • (+/-)-Isocomene
  • Isocomene, (-)-
  • (1R,3aS,5aS,8aR)-1,2,3,3a,5a,6,7,8-Octahydro-1,3a,4,5a-tetramethylcyclopenta[c]pentalene
  • Cyclopenta(c)pentalene, 1,2,3,3a,5a,6,7,8-octahydro-1,3a,4,5a-tetramethyl-, (1alpha,3a.alpha.,5a.beta.,8ar*)-
  • Cyclopenta(c)pentalene, 1,2,3,3a,5a,6,7,8-octahydro-1,3a,4,5a-tetramethyl-, (1alpha,3a.alpha.,5a.beta.,8ar*)-(+/-)-
  • Cyclopenta[c]pentalene, 1,2,3,3a,5a,6,7,8-octahydro-1,3a,4,5a-tetramethyl-, (1R,3aS,5aS,8aR)-
  • Cyclopenta[c]pentalene, 1,2,3,3a,5a,6,7,8-octahydro-1,3a,4,5a-tetramethyl-, [1R-(1alpha,3aalpha,5abeta,8aR*)]-
  • Rel-(1R,3as,5as,8ar)-1,2,3,3a,5a,6,7,8-octahydro-1,3a,4,5a-tetramethylcyclopenta(c)pentalene

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
204.36 g/molcalc.
Exact mass
204.1878 Dacalc.
LogP (octanol/water)
4.56calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
0calc.
Heavy atoms
15calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.87calc.
Formal charge
0calc.
Stereocentres
4calc.
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=CC2CCCC23CCCC13

C1=CC2CCCC23CCCC13

3 rings, 11 atoms.

3 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.

(-)-alpha-Isocomene suppliers

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(-)-alpha-Isocomene 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

Roles

  • eukaryotic metabolite
  • metabolite
  • plant metabolite
  • volatile oil component

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 (-)-alpha-Isocomene is traded under.

HS 2902.19Indicative HS code

Cyclanes, cyclenes and cycloterpenes, other

World exports in 2024
$979M
+24.3% vs 2023, imports $1B
2019 to 2024
Top exporters
  1. China23.4%
  2. United States20.6%
  3. Germany13.6%
Top importers
  1. India * partner reported9.9%
  2. United States9.8%
  3. South Korea9.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about (-)-alpha-Isocomene, based on the data on this page

What is (-)-alpha-Isocomene?

(-)-alpha-isocomene is a tricyclic sesquiterpene that is 1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene bearing four methyl substituents at positions 1, 3a, 4 and 5a. It has a role as a volatile oil component and a plant metabolite. It is a sesquiterpene and a carbotricyclic compound.

What is the CAS number of (-)-alpha-Isocomene?

The CAS registry number of (-)-alpha-Isocomene is 65372-78-3. Other or deprecated CAS numbers: 71629-00-0.

What is the molecular formula and weight of (-)-alpha-Isocomene?

The molecular formula of (-)-alpha-Isocomene is C15H24 and its molar mass is 204.36 g/mol.

What is (-)-alpha-Isocomene used for?

Known uses and roles of (-)-alpha-Isocomene include eukaryotic metabolite, metabolite, plant metabolite and volatile oil component.

Is (-)-alpha-Isocomene hazardous?

No GHS hazard classification for (-)-alpha-Isocomene 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 (-)-alpha-Isocomene?

(-)-alpha-Isocomene is usually classified under HS code 290219 (Cyclanes, cyclenes and cycloterpenes, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy (-)-alpha-Isocomene?

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What is the price of (-)-alpha-Isocomene?

Suppliers quote (-)-alpha-Isocomene 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 (-)-alpha-Isocomene

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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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