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Alcohols and polyols

Thujol

Also known as (1S,3S,4S,5R)-4-methyl-1-propan-2-ylbicyclo(3.1.0)hexan-3-ol, Thujyl alcohol, Neo iso-3-Thujol

CAS 35732-37-7Formula C10H18OMolar mass 154.25 g/molEC 252-702-3
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Thujol chemical structure, C10H18O, CAS 35732-37-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
35732-37-7
Formula
C10H18O
Molar mass
154.25 g/mol
EC number
252-702-3
HS code
290619
Category
Alcohols and polyols

What is Thujol?

Plain description, key identifiers and synonyms

(+)-thujan-3-ol has been reported in Tanacetum vulgare and Chrysanthemum indicum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,3S,4S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
CAS number
35732-37-7Other or deprecated CAS: 7712-79-0
EC number
252-702-3
Molecular formula
C10H18O
InChIKey
DZVXRFMREAADPP-JXUBOQSCSA-N
InChI
InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7-,8+,9-,10-/m0/s1
Canonical SMILES
CC1C(O)CC2(C(C)C)CC12
Isomeric SMILES
C[C@H]1[C@H]2C[C@]2(C[C@@H]1O)C(C)C

Synonyms

  • (1S,3S,4S,5R)-4-methyl-1-propan-2-ylbicyclo(3.1.0)hexan-3-ol
  • Thujyl alcohol
  • Neo iso-3-Thujol
  • (1S,3S,4S,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-ol

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
154.25 g/molcalc.
Exact mass
154.1358 Dacalc.
LogP (octanol/water)
2.05calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
1calc.
Heavy atoms
11calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
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, 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.

Thujol suppliers

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

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Thujol 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

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 Thujol is traded under.

HS 2906.19Indicative HS code

Cyclanic, cyclenic or cycloterpenic, other

World exports in 2024
$613M
+18.7% vs 2023, imports $606M
2019 to 2024
Top exporters
  1. China34.2%
  2. India * partner reported10.1%
  3. Germany9.5%
Top importers
  1. United States19.8%
  2. Germany9.0%
  3. India * partner reported8.4%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Thujol?

(+)-thujan-3-ol has been reported in Tanacetum vulgare and Chrysanthemum indicum.

What is the CAS number of Thujol?

The CAS registry number of Thujol is 35732-37-7. Other or deprecated CAS numbers: 7712-79-0.

What is the molecular formula and weight of Thujol?

The molecular formula of Thujol is C10H18O and its molar mass is 154.25 g/mol.

What is Thujol used for?

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

Is Thujol hazardous?

No GHS hazard classification for Thujol 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 Thujol?

Thujol is usually classified under HS code 290619 (Cyclanic, cyclenic or cycloterpenic, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Thujol?

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

What is the price of Thujol?

Suppliers quote Thujol 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 Thujol

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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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