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Screening compounds

Crotarin

Also known as 5,7-dihydroxy-3-(4-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-yl)chromen-4-one, 5,7-Dihydroxy-3-[4-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-7-yl]-4H-1-benzopyran-4-one

CAS 109517-69-3Formula C20H16O6Molar mass 352.34 g/mol
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Crotarin chemical structure, C20H16O6, CAS 109517-69-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
109517-69-3
Formula
C20H16O6
Molar mass
352.34 g/mol
HS code
293299
Category
Screening compounds

What is Crotarin?

Plain description, key identifiers and synonyms

Crotarin is a chemical substance with the molecular formula C20H16O6 and a molar mass of 352.34 g/mol. Its CAS registry number is 109517-69-3. The IUPAC name is 5,7-dihydroxy-3-(4-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-yl)chromen-4-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5,7-dihydroxy-3-(4-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-yl)chromen-4-one
CAS number
109517-69-3 CAS number cross-checked
Molecular formula
C20H16O6
InChIKey
YAWLWHBWDHQRRT-UHFFFAOYSA-N
InChI
InChI=1S/C20H16O6/c1-9(2)16-7-12-14(22)4-3-11(20(12)26-16)13-8-25-17-6-10(21)5-15(23)18(17)19(13)24/h3-6,8,16,21-23H,1,7H2,2H3
SMILES (canonical and isomeric)
CC(=C)C1CC2=C(C=CC(=C2O1)C3=COC4=CC(=CC(=C4C3=O)O)O)O

Synonyms

  • 5,7-dihydroxy-3-(4-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-yl)chromen-4-one
  • 5,7-Dihydroxy-3-[4-hydroxy-2-(prop-1-en-2-yl)-2,3-dihydro-1-benzofuran-7-yl]-4H-1-benzopyran-4-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
352.34 g/molcalc.
Exact mass
352.0947 Dacalc.
LogP (octanol/water)
3.46calc.
Topological polar surface area
100.1 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
Heavy atoms
26calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.15calc.
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=c1c(-c2cccc3c2OCC3)coc2ccccc12

O=c1c(-c2cccc3c2OCC3)coc2ccccc12

4 rings, 20 atoms.

1 other chemical 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.

Crotarin suppliers

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

Frequently asked questions

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

What is Crotarin?

Crotarin is a chemical substance with the molecular formula C20H16O6 and a molar mass of 352.34 g/mol. Its CAS registry number is 109517-69-3. The IUPAC name is 5,7-dihydroxy-3-(4-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-yl)chromen-4-one.

What is the CAS number of Crotarin?

The CAS registry number of Crotarin is 109517-69-3.

What is the molecular formula and weight of Crotarin?

The molecular formula of Crotarin is C20H16O6 and its molar mass is 352.34 g/mol.

What is Crotarin used for?

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

Is Crotarin hazardous?

No GHS hazard classification for Crotarin 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 Crotarin?

Crotarin 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 Crotarin?

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

What is the price of Crotarin?

Suppliers quote Crotarin 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 Crotarin

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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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