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Paraffins, waxes and cycloalkanes

Thujane

Also known as 4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane, 4-methyl-1-propan-2-ylbicyclo(3.1.0)hexane, 4-methyl-1-(propan-2-yl)bicyclo(3.1.0)hexane, thujane

CAS 471-12-5Formula C10H18Molar mass 138.25 g/mol
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Thujane chemical structure, C10H18, CAS 471-12-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
471-12-5
Formula
C10H18
Molar mass
138.25 g/mol
HS code
290219
Category
Paraffins, waxes and cycloalkanes

What is Thujane?

Plain description, key identifiers and synonyms

Thujane is a monoterpene and a terpenoid fundamental parent.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
CAS number
471-12-5Other or deprecated CAS: 11052-97-4
Molecular formula
C10H18
InChIKey
GCTNBVHDRFKLLK-UHFFFAOYSA-N
InChI
InChI=1S/C10H18/c1-7(2)10-5-4-8(3)9(10)6-10/h7-9H,4-6H2,1-3H3
SMILES (canonical and isomeric)
CC1CCC2(C1C2)C(C)C

Synonyms

  • 4-methyl-1-propan-2-ylbicyclo[3.1.0]hexane
  • 4-methyl-1-propan-2-ylbicyclo(3.1.0)hexane
  • 4-methyl-1-(propan-2-yl)bicyclo(3.1.0)hexane, thujane
  • Dihydrosabinene
  • 4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexane
  • 4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexane
  • 1-Isopropyl-4-methylbicyclo[3.1.0]hexane
  • Thujane skeleton
  • Sabinane (cis)
  • Bicyclo[3.1.0]hexane, 4-methyl-1-(1-methylethyl)-
  • bicyclo[3.1.0]hexane, 4-methyl-[1-methylethyl]
  • 4-Methyl-1-(1-methylethyl)-bicyclo[3.1.0]hexane
  • 4-methyl-1-(1-methylethyl)bicyclo-[3.1.0]hexane
  • Bicyclo(3.1.0)hexane, 4-methyl-1-(1-methylethyl)- (VAN)

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
138.25 g/molcalc.
Exact mass
138.1409 Dacalc.
LogP (octanol/water)
3.08calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
1calc.
Heavy atoms
10calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
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, C1CC2CC2C1

C1CC2CC2C1

2 rings, 6 atoms, the Bicyclo(3.1.0)hexane ring system.

833 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.

Thujane suppliers

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

No supplier listings yet

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Thujane 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.

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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

Frequently asked questions

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

What is Thujane?

Thujane is a monoterpene and a terpenoid fundamental parent.

What is the CAS number of Thujane?

The CAS registry number of Thujane is 471-12-5. Other or deprecated CAS numbers: 11052-97-4.

What is the molecular formula and weight of Thujane?

The molecular formula of Thujane is C10H18 and its molar mass is 138.25 g/mol.

Is Thujane hazardous?

No GHS hazard classification for Thujane 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 Thujane?

Thujane 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 Thujane?

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

What is the price of Thujane?

Suppliers quote Thujane 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 Thujane

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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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