CompoundList
Sign in
Hydrocarbons

Thujopsene

Also known as (-)-Thujopsene, Widdrene, Thujopsene, (-)-

CAS 470-40-6Formula C15H24Molar mass 204.36 g/molEC 207-426-8
GHS signal word: Danger. Pictograms: Serious health hazard
Get quotes Safety data
Thujopsene chemical structure, C15H24, CAS 470-40-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
470-40-6
Formula
C15H24
Molar mass
204.36 g/mol
EC number
207-426-8
HS code
290219
Category
Hydrocarbons

What is Thujopsene?

Plain description, key identifiers and synonyms

(-)-thujopsene is a thujopsene that has (S,S,S)-configuration. It has a role as a plant metabolite. It is an enantiomer of a (+)-thujopsene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1aS,4aS,8aS)-2,4a,8,8-tetramethyl-1,1a,4,5,6,7-hexahydrocyclopropa[j]naphthalene
CAS number
470-40-6
EC number
207-426-8
Molecular formula
C15H24
UNII
E116U47P7N
InChIKey
WXQGPFZDVCRBME-QEJZJMRPSA-N
InChI
InChI=1S/C15H24/c1-11-6-9-14(4)8-5-7-13(2,3)15(14)10-12(11)15/h6,12H,5,7-10H2,1-4H3/t12-,14-,15-/m0/s1
Canonical SMILES
CC1=CCC2(C)CCCC(C)(C)C23CC13
Isomeric SMILES
CC1=CC[C@@]2(CCCC([C@]23[C@H]1C3)(C)C)C

Synonyms

  • (-)-Thujopsene
  • Widdrene
  • Thujopsene, (-)-
  • (1aS,4aS,8aS)-2,4a,8,8-tetramethyl-1,1a,4,5,6,7-hexahydrocyclopropa[j]naphthalene
  • Cyclopropa(d)naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, (1aS,4aS,8aS)-
  • (1aS,4aS,8aS)-2,4a,8,8-tetramethyl-1,1a,4,5,6,7-hexahydrocyclopropa(j)naphthalene
  • Cyclopropa(d)naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, (1aS-(1aalpha,4abeta,8aR*))-
  • cis-Thujopsene
  • Sesquichamene
  • (-)-Thujopsene (>85%)
  • cis-(-)-Thujopsene
  • Thujopsen
  • (-)-Thujopsen
  • (-)-widdrene
  • Cyclopropa(d)naphthalene, 1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethyl-, (1as-(1a.alpha.,4a.beta.,8ar*))-
  • (-)-Thujopsene, >=97.0% (GC)
  • (1aS,4aS,8aS)-2,4a,8,8-tetramethyl-1,1a,4,4a,5,6,7,8-octahydrocyclopropa[d]naphthalene
  • (1AS-(1aalpha,4abeta,8aR*))-1,1a,4,4a,5,6,7,8-octahydro-2,4a,8,8-tetramethylcyclopropa(d)naphthalene

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
3calc.
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=CC2CC23CCCCC3C1

C1=CC2CC23CCCCC3C1

3 rings, 11 atoms.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H304May be fatal if swallowed and enters airways.
Precautionary statements (4)
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P331Do not induce vomiting.
  • P405Store locked up.
  • 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

Thujopsene suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

Post one free request and suppliers who make or trade Thujopsene can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Thujopsene price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Roles

  • eukaryotic metabolite
  • metabolite
  • plant metabolite

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

Frequently asked questions

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

What is Thujopsene?

(-)-thujopsene is a thujopsene that has (S,S,S)-configuration. It has a role as a plant metabolite. It is an enantiomer of a (+)-thujopsene.

What is the CAS number of Thujopsene?

The CAS registry number of Thujopsene is 470-40-6.

What is the molecular formula and weight of Thujopsene?

The molecular formula of Thujopsene is C15H24 and its molar mass is 204.36 g/mol.

What is Thujopsene used for?

Known uses and roles of Thujopsene include eukaryotic metabolite, metabolite and plant metabolite.

Is Thujopsene hazardous?

Thujopsene carries the GHS signal word "Danger". Main hazards: may be fatal if swallowed and enters airways. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Thujopsene?

Thujopsene 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 Thujopsene?

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

What is the price of Thujopsene?

Suppliers quote Thujopsene 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 Thujopsene

Get quotes for Thujopsene

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Thujopsene
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Thujopsene with a 3D view, its CAS number and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/thujopsene-470-40-6" title="Thujopsene structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Hydrocarbons or HS code 290219

Price on request
Free quotes, contact stays private
Get quotes