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Aliphatic and alicyclic building blocks

Acorusdiol

Also known as (2S,4aR,5R,7R)-3,4,4a,5,6,7-Hexahydro-5,7-dihydroxy-4a,8-dimethyl-2-(1-methylethyl)-1(2H)-naphthalenone, (2S,4aR,5R,7R)-5,7-Dihydroxy-4a,8-dimethyl-2-(propan-2-yl)-3,4,4a,5,6,7-hexahydronaphthalen-1(2H)-one, (2S,4aR,5R,7R)-5,7-dihydroxy-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-one

CAS 185307-44-2Formula C15H24O3Molar mass 252.35 g/mol
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Acorusdiol chemical structure, C15H24O3, CAS 185307-44-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
185307-44-2
Formula
C15H24O3
Molar mass
252.35 g/mol
HS code
291440
Category
Aliphatic and alicyclic building blocks

What is Acorusdiol?

Plain description, key identifiers and synonyms

Acorusdiol is a eudesmane sesquiterpenoid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2S,4aR,5R,7R)-5,7-dihydroxy-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-one
CAS number
185307-44-2
Molecular formula
C15H24O3
InChIKey
XMGSOQRMWQXOKH-YFCNSXCBSA-N
InChI
InChI=1S/C15H24O3/c1-8(2)10-5-6-15(4)12(17)7-11(16)9(3)13(15)14(10)18/h8,10-12,16-17H,5-7H2,1-4H3/t10-,11+,12+,15-/m0/s1
Canonical SMILES
CC1=C2C(=O)C(C(C)C)CCC2(C)C(O)CC1O
Isomeric SMILES
CC1=C2C(=O)[C@@H](CC[C@]2([C@@H](C[C@H]1O)O)C)C(C)C

Synonyms

  • (2S,4aR,5R,7R)-3,4,4a,5,6,7-Hexahydro-5,7-dihydroxy-4a,8-dimethyl-2-(1-methylethyl)-1(2H)-naphthalenone
  • (2S,4aR,5R,7R)-5,7-Dihydroxy-4a,8-dimethyl-2-(propan-2-yl)-3,4,4a,5,6,7-hexahydronaphthalen-1(2H)-one
  • (2S,4aR,5R,7R)-5,7-dihydroxy-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-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
252.35 g/molcalc.
Exact mass
252.1725 Dacalc.
LogP (octanol/water)
2.07calc.
Topological polar surface area
57.53 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
18calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.8calc.
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, O=C1CCCC2CCCC=C12

O=C1CCCC2CCCC=C12

2 rings, 11 atoms, the 1(2H)-Naphthalenone, 3,4,4a,5,6,7-hexahydro- ring system.

9 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.

Acorusdiol suppliers

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Acorusdiol 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

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 Acorusdiol is traded under.

HS 2914.40Indicative HS code

Ketone-alcohols and ketone-aldehydes

World exports in 2024
$199M
+2.5% vs 2023, imports $247M
2019 to 2024
Top exporters
  1. China29.5%
  2. Germany14.4%
  3. Netherlands12.7%
Top importers
  1. United States37.2%
  2. Netherlands8.5%
  3. Germany6.4%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Acorusdiol?

Acorusdiol is a eudesmane sesquiterpenoid.

What is the CAS number of Acorusdiol?

The CAS registry number of Acorusdiol is 185307-44-2.

What is the molecular formula and weight of Acorusdiol?

The molecular formula of Acorusdiol is C15H24O3 and its molar mass is 252.35 g/mol.

What is Acorusdiol used for?

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

Is Acorusdiol hazardous?

No GHS hazard classification for Acorusdiol 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 Acorusdiol?

Acorusdiol is usually classified under HS code 291440 (Ketone-alcohols and ketone-aldehydes). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Acorusdiol?

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

What is the price of Acorusdiol?

Suppliers quote Acorusdiol 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 Acorusdiol

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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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