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Aliphatic and alicyclic building blocks

Centarol

Also known as (1R,4aR,5S,9aS)-2,5,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene-1,5-diol, (1R,4aR,5S,9aS)-2,5,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-1H-benzo(7)annulene-1,5-diol, (1R,4aR,5S,9aS)-2,5,9,9-tetramethyl-4,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene-1,5-diol

CAS 57308-24-4Formula C15H26O2Molar mass 238.37 g/mol
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Centarol chemical structure, C15H26O2, CAS 57308-24-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
57308-24-4
Formula
C15H26O2
Molar mass
238.37 g/mol
HS code
290619
Category
Aliphatic and alicyclic building blocks

What is Centarol?

Plain description, key identifiers and synonyms

Centarol is a sesquiterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,4aR,5S,9aS)-2,5,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene-1,5-diol
CAS number
57308-24-4 CAS number cross-checked
Molecular formula
C15H26O2
InChIKey
NUXLUAXOQWMFEE-CXTNEJHOSA-N
InChI
InChI=1S/C15H26O2/c1-10-6-7-11-12(13(10)16)14(2,3)8-5-9-15(11,4)17/h6,11-13,16-17H,5,7-9H2,1-4H3/t11-,12-,13+,15+/m1/s1
Canonical SMILES
CC1=CCC2C(C1O)C(C)(C)CCCC2(C)O
Isomeric SMILES
CC1=CC[C@@H]2[C@H]([C@H]1O)C(CCC[C@]2(C)O)(C)C

Synonyms

  • (1R,4aR,5S,9aS)-2,5,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene-1,5-diol
  • (1R,4aR,5S,9aS)-2,5,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-1H-benzo(7)annulene-1,5-diol
  • (1R,4aR,5S,9aS)-2,5,9,9-tetramethyl-4,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene-1,5-diol

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
238.37 g/molcalc.
Exact mass
238.1933 Dacalc.
LogP (octanol/water)
2.89calc.
Topological polar surface area
40.46 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
0calc.
Heavy atoms
17calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.87calc.
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=CCC2CCCCCC2C1

C1=CCC2CCCCCC2C1

2 rings, 11 atoms.

No other chemical in our database has 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.

Centarol suppliers

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Centarol price

Indicative price range per kg from live supplier offers

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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

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

Frequently asked questions

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

What is Centarol?

Centarol is a sesquiterpenoid.

What is the CAS number of Centarol?

The CAS registry number of Centarol is 57308-24-4.

What is the molecular formula and weight of Centarol?

The molecular formula of Centarol is C15H26O2 and its molar mass is 238.37 g/mol.

What is Centarol used for?

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

Is Centarol hazardous?

No GHS hazard classification for Centarol 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 Centarol?

Centarol 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 Centarol?

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

What is the price of Centarol?

Suppliers quote Centarol 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 Centarol

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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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