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Heterocyclic building blocks

Ochratoxin alpha

Also known as alpha-Ochratoxin, (R)-Ochratoxin |A, (R)-ochratoxin alpha

CAS 19165-63-0Formula C11H9ClO5Molar mass 256.64 g/mol
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Ochratoxin alpha chemical structure, C11H9ClO5, CAS 19165-63-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
19165-63-0
Formula
C11H9ClO5
Molar mass
256.64 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Ochratoxin alpha?

Plain description, key identifiers and synonyms

Ochratoxin alpha is a member of the class of isocoumarins that is 1-oxo-3,4-dihydro-2-benzopyran-7-carboxylic acid carrying additional methyl, chloro and hydroxy substituents at positions 3, 5 and 8 respectively. A non-toxic metabolite of the mycotoxin ochratoxin A. It has a role as a human xenobiotic metabolite, a bacterial xenobiotic metabolite, a marine xenobiotic metabolite and a human urinary metabolite. It is a member of benzoic acids, a member of phenols, an organochlorine compound, a member of isocoumarins and a member of isochromanes. It is a conjugate acid of an ochratoxin alpha(1-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid
CAS number
19165-63-0 CAS number cross-checked
Molecular formula
C11H9ClO5
UNII
EB6BD1257Y
MDL number
MFCD29036834
InChIKey
OSFWJKYWJMZKSM-SCSAIBSYSA-N
InChI
InChI=1S/C11H9ClO5/c1-4-2-5-7(12)3-6(10(14)15)9(13)8(5)11(16)17-4/h3-4,13H,2H2,1H3,(H,14,15)/t4-/m1/s1
Canonical SMILES
CC1Cc2c(Cl)cc(C(=O)O)c(O)c2C(=O)O1
Isomeric SMILES
C[C@@H]1CC2=C(C=C(C(=C2C(=O)O1)O)C(=O)O)Cl

Synonyms

  • alpha-Ochratoxin
  • (R)-Ochratoxin |A
  • (R)-ochratoxin alpha
  • (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid
  • (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid
  • (R)-5-chloro-8-hydroxy-3-methyl-1-oxoisochroman-7-carboxylic acid
  • C11H9ClO5
  • Ochratoxin ??
  • 2a-Hydroxycoprinolone
  • (-)-ochratoxin alpha
  • (R)-(-)-ochratoxin alpha
  • (R)-5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-carboxylic acid
  • alpha-ochratoxin, (-)-
  • 1H-2-Benzopyran-7-carboxylic acid, 5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-, (R)-
  • 1H-2-Benzopyran-7-carboxylic acid, 5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-, (3R)-
  • alpha-Ochratoxin 10 microg/mL in Acetonitrile
  • 5-chloro-7-carboxy-8-hydroxy-3,4-dihydro-3r-methyl isocoumarin
  • (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-isochromane-7-carboxylic acid
  • 7-Carboxy-5-chloro-8-hydroxy-3,4-dihydro-3r-methylisocoumarin
  • 7-Isochromancarboxylic acid, 5-chloro-8-hydroxy-3-methyl-1-oxo-, (R)-
  • (3R)-5-Chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-carboxylic acid

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
256.64 g/molcalc.
Exact mass
256.0139 Dacalc.
LogP (octanol/water)
1.85calc.
Topological polar surface area
83.83 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
17calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.27calc.
Formal charge
0calc.
Stereocentres
1calc.
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=C1OCCc2ccccc21

O=C1OCCc2ccccc21

2 rings, 11 atoms, the 3,4-Dihydroisocoumarin ring system.

593 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.

Ochratoxin alpha suppliers

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All 4 suppliers
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Where suppliers are based

4 suppliers in 3 countries

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Ochratoxin alpha 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

  • animal metabolite
  • bacterial metabolite
  • bacterial xenobiotic metabolite
  • eukaryotic metabolite
  • human metabolite
  • human urinary metabolite
  • human xenobiotic metabolite
  • mammalian metabolite
  • marine metabolite
  • marine xenobiotic metabolite
  • metabolite
  • prokaryotic metabolite
  • xenobiotic 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 Ochratoxin alpha 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 Ochratoxin alpha is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ochratoxin alpha, based on the data on this page

What is Ochratoxin alpha?

Ochratoxin alpha is a member of the class of isocoumarins that is 1-oxo-3,4-dihydro-2-benzopyran-7-carboxylic acid carrying additional methyl, chloro and hydroxy substituents at positions 3, 5 and 8 respectively. A non-toxic metabolite of the mycotoxin ochratoxin A.

What is the CAS number of Ochratoxin alpha?

The CAS registry number of Ochratoxin alpha is 19165-63-0.

What is the molecular formula and weight of Ochratoxin alpha?

The molecular formula of Ochratoxin alpha is C11H9ClO5 and its molar mass is 256.64 g/mol.

What is Ochratoxin alpha used for?

Known uses and roles of Ochratoxin alpha include building blocks in research and laboratory, screening compounds in research and laboratory, animal metabolite, bacterial metabolite, bacterial xenobiotic metabolite and 10 more.

Is Ochratoxin alpha hazardous?

No GHS hazard classification for Ochratoxin alpha 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 Ochratoxin alpha?

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

Where can I buy Ochratoxin alpha?

CompoundList lists 4 suppliers of Ochratoxin alpha in China, Israel and Mexico. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Ochratoxin alpha?

Suppliers quote Ochratoxin alpha 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 Ochratoxin alpha

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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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