CompoundList
Sign in
Flavor ingredients

Piperitol

Also known as 4-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol, 4-((3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro(3,4-c)furan-6-yl)-2-methoxyphenol, 1-Methyl-4-isopropyl-1-cyclohexen-3-ol

CAS 491-04-3Formula C20H20O6Molar mass 356.37 g/mol
Get quotes Safety data
Piperitol chemical structure, C20H20O6, CAS 491-04-3
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Crystals
Melting point
36 °C
Boiling point
57 °C
HS code
293299
Category
Flavor ingredients
Illustrative photo, assorted laboratory chemical bottles and jars on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Piperitol?

Plain description, key identifiers and synonyms

4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol is a furofuran that is tetrahydro-1H,3H-furo[3,4-c]furan which is substituted at positions 1 and 4 by 4-hydroxy-3-methoxyphenyl and 1,3-benzodioxol-5-yl groups, respectively (the 1S,3aR,4S,6aR stereoisomer). The biosynthetic precursor of (+)-sesamin. It has a role as a plant metabolite. It is a lignan, a member of phenols, an aromatic ether, a member of benzodioxoles and a furofuran.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol
CAS number
491-04-3Other or deprecated CAS: 52151-92-5
Molecular formula
C20H20O6
UNII
CLA6B4LBF3
InChIKey
VBIRCRCPHNUJAS-AFHBHXEDSA-N
InChI
InChI=1S/C20H20O6/c1-22-17-6-11(2-4-15(17)21)19-13-8-24-20(14(13)9-23-19)12-3-5-16-18(7-12)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3/t13-,14-,19+,20+/m0/s1
Canonical SMILES
COc1cc(C2OCC3C(c4ccc5c(c4)OCO5)OCC23)ccc1O
Isomeric SMILES
COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC5=C(C=C4)OCO5)O

Synonyms

  • 4-[(3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenol
  • 4-((3S,3aR,6S,6aR)-3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro(3,4-c)furan-6-yl)-2-methoxyphenol
  • 1-Methyl-4-isopropyl-1-cyclohexen-3-ol
  • 2-Cyclohexen-1-ol, 3-methyl-6-(1-methylethyl)-
  • 3-Hydroxy-4-isopropyl-1-methylcyclohexene
  • Piperitol (monoterpene)
  • (+)-piperitol
  • Regiomontanin
  • Sesamin monocatechol 3-methylate
  • 4-((1S,3aR,4S,6aR)-4-(1,3-Benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-C)furan-1-yl)-2-methoxyphenol
  • 4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenol
  • Phenol, 4-((1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-C)furan-1-yl)-2-methoxy-
  • 4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol
  • Phenol, 4-(4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-2-methoxy-, (1S-(1alpha,3a.alpha.,4alpha,6a.alpha.))-
  • Phenol, 4-(4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-C)furan-1-yl)-2-methoxy-, (1S-(1alpha,3aalpha,4alpha,6aalpha))-

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

Appearance
Crystalsexp.
Odour
FRESH PUNGENT ODORexp.
Taste
FRESH PUNGENT TASTEexp.
Melting point
36 °Cexp.
Boiling point
57 °Cexp.

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
356.37 g/molcalc.
Exact mass
356.126 Dacalc.
LogP (octanol/water)
3.2calc.
Topological polar surface area
66.38 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
3calc.
Heavy atoms
26calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.4calc.
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, c1ccc(C2OCC3C(c4ccc5c(c4)OCO5)OCC23)cc1

c1ccc(C2OCC3C(c4ccc5c(c4)OCO5)OCC23)cc1

5 rings, 23 atoms.

21 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.

Piperitol suppliers

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

No supplier listings yet

Post one free request and suppliers who make or trade Piperitol can send you quotes. Your contact details stay private until you accept a quote.

Request quotesSell this chemical

Piperitol price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Synthetic flavoring ingredient.

Roles

  • eukaryotic metabolite
  • metabolite
  • plant metabolite

How it is made

By reduction of racemic piperitone with lithium aluminum hydride or aluminum isopropoxide, the d-form is isolated from natural sources.

Regulatory status

Inventories, regulations and trade controls that list this substance

United States

  • TSCA inventory (USA)
    Status: Inactive 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 Piperitol is traded under.

HS 2932.99Indicative HS code

Heterocyclic compounds with oxygen hetero-atom(s) only, other

World exports in 2024
$3.81B
+10.3% vs 2023, imports $7.05B
2019 to 2024
Top exporters
  1. China28.9%
  2. Switzerland * partner reported12.7%
  3. Germany7.8%
Top importers
  1. United States49.7%
  2. China11.9%
  3. India * partner reported3.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Piperitol?

4-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydrofuro[3,4-c]furan-1-yl]-2-methoxyphenol is a furofuran that is tetrahydro-1H,3H-furo[3,4-c]furan which is substituted at positions 1 and 4 by 4-hydroxy-3-methoxyphenyl and 1,3-benzodioxol-5-yl groups, respectively (the 1S,3aR,4S,6aR stereoisomer).

What is the CAS number of Piperitol?

The CAS registry number of Piperitol is 491-04-3. Other or deprecated CAS numbers: 52151-92-5.

What is the molecular formula and weight of Piperitol?

The molecular formula of Piperitol is C20H20O6 and its molar mass is 356.37 g/mol.

What is Piperitol used for?

Synthetic flavoring ingredient.

Is Piperitol hazardous?

No GHS hazard classification for Piperitol 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 Piperitol?

Piperitol is usually classified under HS code 293299 (Heterocyclic compounds with oxygen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Piperitol?

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

What is the price of Piperitol?

Suppliers quote Piperitol 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 Piperitol

Get quotes for Piperitol

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Piperitol
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Piperitol with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/piperitol-491-04-3" title="Piperitol structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Flavor ingredients or HS code 293299

Price on request
Free quotes, contact stays private
Get quotes