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Synthetic aroma chemicals

Thujone

Also known as alpha-Thujone, (-)-alpha-thujone, l-Thujone

CAS 546-80-5Formula C10H16OMolar mass 152.24 g/molEC 208-912-2
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Harmful or irritant 6 suppliers listed
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Thujone chemical structure, C10H16O, CAS 546-80-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
546-80-5
Formula
C10H16O
Molar mass
152.24 g/mol
EC number
208-912-2
HS code
291429
Category
Synthetic aroma chemicals

What is Thujone?

Plain description, key identifiers and synonyms

(-)-alpha-thujone is the (1S,4R,5R)-stereoisomer of alpha-thujone. It is an enantiomer of a (+)-alpha-thujone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
CAS number
546-80-5 CAS number cross-checkedOther or deprecated CAS: 58501-78-3, 59573-80-7
EC number
208-912-2
Molecular formula
C10H16O
UNII
R0SQ9G0DU5
MDL number
MFCD00001313
INCI name
ISOPROPYL-METHYLBICYCLOHEXANONE
InChIKey
USMNOWBWPHYOEA-MRTMQBJTSA-N
InChI
InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1
Canonical SMILES
CC1C(=O)CC2(C(C)C)CC12
Isomeric SMILES
C[C@@H]1[C@H]2C[C@]2(CC1=O)C(C)C

Synonyms

  • alpha-Thujone
  • (-)-alpha-thujone
  • l-Thujone
  • (-)-3-thujanone
  • (1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
  • 3-Thujanone, (1S,4R,5R)-(-)-
  • (-)-Thujone
  • (1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
  • (1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo(3.1.0)hexan-3-one
  • (1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo(3.1.0)hexan-3-one
  • alpha-(-)-Thujone
  • Thujon
  • (-)-3-Isothujone
  • (1S,4R,5R)-thujan-3-one
  • (+-)-Isothujone
  • (1S,4R,5R)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one
  • 3-Thujanone, (-)-
  • Bicyclo(3.1.0)hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)-
  • Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, (1S,4R,5R)-
  • (1S,4R,5R)-(-)-3-thujanone
  • dl-Thujone
  • racemic 3-Isothujone
  • (-)-|A-Thujone
  • Absinthol
  • 3-Thujanone, (+-)-
Show all 34 synonyms
  • L-alpha-Thujone
  • ??-Thujone
  • (-)-trans-Thujone
  • (-)-a-Thujone
  • Alfa-thujone
  • (?)-|A-Thujone
  • a-(-)-THUJONE
  • Thujone, alpha-
  • (1R,2R,5S)-5-isopropyl-2-methyl-bicyclo[3.1.0]hexan-3-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
152.24 g/molcalc.
Exact mass
152.1201 Dacalc.
LogP (octanol/water)
2.26calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
1calc.
Heavy atoms
11calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.9calc.
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, O=C1CC2CC2C1

O=C1CC2CC2C1

2 rings, 7 atoms, the Bicyclo[3.1.0]hexan-3-one ring system.

36 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H301Toxic if swallowed.
  • H302Harmful if swallowed.
Precautionary statements (8)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P301 + P317If swallowed: Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • 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

Thujone suppliers

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

All 6 suppliers
6 of 6 offers
  • Jiangsu Yong Jian Medicine Technology Co., Ltd.
    ChinaUnclaimed profile
    α-ThujoneGrade, purity and minimum order on request
    Price on request
    View
  • Procter & Gamble
    New ZealandUnclaimed profile
    ThujoneGrade, purity and minimum order on request
    Price on request
    View
  • AChemBlock
    United States, HaywardUnclaimed profile
    ThujoneGrade, purity and minimum order on request
    Price on request
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  • BioCrick
    China, ChengduUnclaimed profile
    ThujoneGrade, purity and minimum order on request
    Price on request
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  • Chemenu. Inc.
    China, ShanghaiUnclaimed profile
    ThujoneGrade, purity and minimum order on request
    Price on request
    View
  • EvitaChem
    China, BeijingUnclaimed profile
    ThujoneGrade, purity and minimum order on request
    Price on request
    View

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

6 suppliers in 3 countries

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Thujone price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Cosmetic ingredient, INCI name ISOPROPYL-METHYLBICYCLOHEXANONE(perfuming)

Functional uses

  • Fragrance

Cosmetic functions

  • Perfuming

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

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 Thujone is traded under.

HS 2914.29Indicative HS code

Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other

World exports in 2024
$1B
+6.6% vs 2023, imports $980M
2019 to 2024
Top exporters
  1. China32.5%
  2. India * partner reported12.9%
  3. Germany12.3%
Top importers
  1. United States15.7%
  2. Japan8.7%
  3. Germany8.7%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Thujone?

(-)-alpha-thujone is the (1S,4R,5R)-stereoisomer of alpha-thujone. It is an enantiomer of a (+)-alpha-thujone.

What is the CAS number of Thujone?

The CAS registry number of Thujone is 546-80-5. Other or deprecated CAS numbers: 58501-78-3, 59573-80-7.

What is the molecular formula and weight of Thujone?

The molecular formula of Thujone is C10H16O and its molar mass is 152.24 g/mol.

What is Thujone used for?

Known uses and roles of Thujone include fragrance ingredients in cosmetics and personal care, fragrance ingredients in flavors and fragrances, terpenes and terpenoids in flavors and fragrances, aldehydes and ketones in flavors and fragrances, perfuming and 1 more.

Is Thujone hazardous?

Thujone carries the GHS signal word "Danger". Main hazards: toxic if swallowed, harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Thujone?

Thujone is usually classified under HS code 291429 (Cyclanic, cyclenic or cycloterpenic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Thujone?

CompoundList lists 6 suppliers of Thujone in China, New Zealand and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Thujone?

Suppliers quote Thujone 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 Thujone

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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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