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Heterocyclic compounds

Alternariol

Also known as 3,7,9-Trihydroxy-1-methyl-6H-benzo[c]chromen-6-one, 3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one, 3,4,4'-Trihydroxy-6'-methyl-2-biphenylcarboxylic acid, gamma lactone

CAS 641-38-3Formula C14H10O5Molar mass 258.23 g/molEC 636-339-1
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 12 suppliers listed
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Alternariol chemical structure, C14H10O5, CAS 641-38-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
641-38-3
Formula
C14H10O5
Molar mass
258.23 g/mol
EC number
636-339-1
HS code
293220
Category
Heterocyclic compounds

What is Alternariol?

Plain description, key identifiers and synonyms

Alternariol is a benzochromenone that is 6H-benzo[c]chromen-6-one which is substituted by a methyl group at position 1 and by hydroxy groups at positions 3, 7, and 9. It is the most important mycotoxin produced by the black mould Alternaria species, which are the most common mycoflora infecting small grain cereals worldwide. It has a role as a metabolite, a mycotoxin and an EC 3.1.1.8 (cholinesterase) inhibitor. It is a member of phenols and a benzochromenone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one
CAS number
641-38-3 CAS number cross-checked
EC number
636-339-1
Molecular formula
C14H10O5
UNII
KN9L4260JW
MDL number
MFCD00133068
InChIKey
CEBXXEKPIIDJHL-UHFFFAOYSA-N
InChI
InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
SMILES (canonical and isomeric)
CC1=CC(=CC2=C1C3=C(C(=CC(=C3)O)O)C(=O)O2)O

Synonyms

  • 3,7,9-Trihydroxy-1-methyl-6H-benzo[c]chromen-6-one
  • 3,7,9-trihydroxy-1-methylbenzo[c]chromen-6-one
  • 3,4,4'-Trihydroxy-6'-methyl-2-biphenylcarboxylic acid, gamma lactone
  • 3,7,9-trihydroxy-1-methylbenzo(c)chromen-6-one
  • 3,7,9-Trihydroxy-1-methyl-6H-benzo(c)chromen-6-one
  • 3,7,9-Trihydroxy-1-methyl-6H-dibenzo[b,d]pyran-6-one
  • AOH
  • 6H-DIBENZO(b,d)PYRAN-6-ONE, 1-METHYL-3,7,9-TRIHYDROXY-
  • 3,7,9-Trihydroxy-1-methyl-6H-dibenzo(b,d)pyran-6-one
  • Alternariol from Alternaria sp.
  • Alternariol/AOH
  • Alternariol (6CI,7CI), 3,7,9-Trihydroxy-1-methyl-6H-dibenzo[b,d]pyran-6-one, NSC 638263
  • 5-18-04-00516 (Beilstein Handbook Reference)
  • MEGxm0_000137
  • Alternariol, analytical standard
  • ACon0_000598
  • ACon1_001301
  • 6H-Dibenzo[b,d]pyran-6-one, 3,7,9-trihydroxy-1-methyl-
  • Alternariol from Alternaria sp., ~96%
  • Alternariol solution in Methanol, 100ug/mL
  • 3,4',5-Trihydroxy-6'-methyldibenzo-a-pyrone
  • Alternariol solution in Acetonitrile, 100ug/mL
  • 3,4',5-trihydroxy-6'-methyldibenzo-alpha-pyrone
  • 3,7,9-trihydroxy-1-methyl-benzo[c]chromen-6-one
  • 1-Methyl-3,7,9-trihydroxy-6H-Dibenzo(b,D)pyran-6-one
Show all 29 synonyms
  • 3,7,9-Trihydroxy-1-methyl-6H-benzo[c]chromen-6-one #
  • Alternariol 3,4',5-Trihydroxy-6'-methyl-dibenzo[a]pyrone
  • 3,7,9-Trihydroxy-1-methyl-6H-dibenzo[b,D]pyran-6-one, 9CI
  • 3,4,4'-trihydroxy-6'-methyl-2-biphenylcarboxylic acid gamma-lactone

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
258.23 g/molcalc.
Exact mass
258.0528 Dacalc.
LogP (octanol/water)
2.37calc.
Topological polar surface area
90.9 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
0calc.
Heavy atoms
19calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.07calc.
Formal charge
0calc.
Stereocentres
0calc.
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=c1oc2ccccc2c2ccccc12

O=c1oc2ccccc2c2ccccc12

3 rings, 15 atoms, the 6H-Dibenzo(b,d)pyran-6-one ring system.

210 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H300Fatal if swallowed.
  • H310Fatal in contact with skin.
  • H330Fatal if inhaled.
Precautionary statements (18)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Alternariol suppliers

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

All 12 suppliers
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Where suppliers are based

12 suppliers in 5 countries

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Alternariol 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

Pharmacological actions

  • Cholinesterase Inhibitors

Roles

  • enzyme inhibitor
  • eukaryotic metabolite
  • fungal metabolite
  • metabolite
  • mycotoxin
  • poison
  • toxin

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 Alternariol is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Alternariol?

Alternariol is a benzochromenone that is 6H-benzo[c]chromen-6-one which is substituted by a methyl group at position 1 and by hydroxy groups at positions 3, 7, and 9.

What is the CAS number of Alternariol?

The CAS registry number of Alternariol is 641-38-3.

What is the molecular formula and weight of Alternariol?

The molecular formula of Alternariol is C14H10O5 and its molar mass is 258.23 g/mol.

What is Alternariol used for?

Known uses and roles of Alternariol include enzyme inhibitor, eukaryotic metabolite, fungal metabolite, metabolite, mycotoxin and 3 more.

Is Alternariol hazardous?

Alternariol carries the GHS signal word "Danger". Main hazards: fatal if swallowed, fatal in contact with skin, fatal if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Alternariol?

Alternariol is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Alternariol?

CompoundList lists 12 suppliers of Alternariol in China, United States, Australia, United Kingdom and 1 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Alternariol?

Suppliers quote Alternariol 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 Alternariol

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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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