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Alcohols and polyols

beta-Nootkatol

Also known as Nootkatol, (2S,4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol, (2S,4R,4aS,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol

CAS 50763-67-2Formula C15H24OMolar mass 220.36 g/molEC 258-681-7
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beta-Nootkatol chemical structure, C15H24O, CAS 50763-67-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
50763-67-2
Formula
C15H24O
Molar mass
220.36 g/mol
EC number
258-681-7
HS code
290619
Category
Alcohols and polyols

What is beta-Nootkatol?

Plain description, key identifiers and synonyms

Beta-nootkatol is a 4,4a-dimethyl-6-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol with (2S,4R,4aS,6R) stereochemistry. It has a role as a plant metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
CAS number
50763-67-2 CAS number cross-checkedOther or deprecated CAS: 53643-07-5
EC number
258-681-7
Molecular formula
C15H24O
InChIKey
GFNWRKNVTHDNPV-UXOAXIEHSA-N
InChI
InChI=1S/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h8,11-12,14,16H,1,5-7,9H2,2-4H3/t11-,12-,14+,15+/m1/s1
Canonical SMILES
C=C(C)C1CCC2=CC(O)CC(C)C2(C)C1
Isomeric SMILES
C[C@@H]1C[C@@H](C=C2[C@]1(C[C@@H](CC2)C(=C)C)C)O

Synonyms

  • Nootkatol
  • (2S,4R,4aS,6R)-4,4a-dimethyl-6-prop-1-en-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-ol
  • (2S,4R,4aS,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol
  • trans-nootkatol
  • 2S-Hydroxyvalencene
  • (+)-trans-nootkatol
  • (+)-nootkatol
  • 2alpha-hydroxyvalencene
  • Nootkatol, (2S-(2alpha,4alpha,4aalpha,6beta))-isomer
  • 2alpha-hydroxy-4alpha,5alpha,7beta-eremophil-1(10),11-diene
  • 4alpha,4aalpha-dimethyl-6beta-(1-methylethenyl)-2,3,4,4a,5,6,7,8-octahydronaphthalene-2alpha-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
220.36 g/molcalc.
Exact mass
220.1827 Dacalc.
LogP (octanol/water)
3.7calc.
Topological polar surface area
20.23 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
1calc.
Heavy atoms
16calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.73calc.
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=C2CCCCC2CCC1

C1=C2CCCCC2CCC1

2 rings, 10 atoms, the 1,2,3,4,4a,5,6,7-Octahydronaphthalene ring system.

115 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.

beta-Nootkatol suppliers

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beta-Nootkatol 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

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

Frequently asked questions

Quick answers about beta-Nootkatol, based on the data on this page

What is beta-Nootkatol?

Beta-nootkatol is a 4,4a-dimethyl-6-(prop-1-en-2-yl)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-ol with (2S,4R,4aS,6R) stereochemistry. It has a role as a plant metabolite.

What is the CAS number of beta-Nootkatol?

The CAS registry number of beta-Nootkatol is 50763-67-2. Other or deprecated CAS numbers: 53643-07-5.

What is the molecular formula and weight of beta-Nootkatol?

The molecular formula of beta-Nootkatol is C15H24O and its molar mass is 220.36 g/mol.

What is beta-Nootkatol used for?

Known uses and roles of beta-Nootkatol include eukaryotic metabolite, metabolite and plant metabolite.

Is beta-Nootkatol hazardous?

No GHS hazard classification for beta-Nootkatol 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 beta-Nootkatol?

beta-Nootkatol 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 beta-Nootkatol?

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

What is the price of beta-Nootkatol?

Suppliers quote beta-Nootkatol 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 beta-Nootkatol

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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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