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Heterocyclic building blocks

Toddaculin

Also known as 5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one, 2H-1-Benzopyran-2-one, 5,7-dimethoxy-6-(3-methyl-2-butenyl)-, Toddaculine

CAS 4335-12-0Formula C16H18O4Molar mass 274.32 g/mol
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Toddaculin chemical structure, C16H18O4, CAS 4335-12-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4335-12-0
Formula
C16H18O4
Molar mass
274.32 g/mol
HS code
293220
Category
Heterocyclic building blocks

What is Toddaculin?

Plain description, key identifiers and synonyms

2H-1-Benzopyran-2-one, 5,7-dimethoxy-6-(3-methyl-2-butenyl)- has been reported in Toddalia asiatica and Zanthoxylum asiaticum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one
CAS number
4335-12-0 CAS number cross-checked
Molecular formula
C16H18O4
InChIKey
KRQHZFHWEAJPNO-UHFFFAOYSA-N
InChI
InChI=1S/C16H18O4/c1-10(2)5-6-11-13(18-3)9-14-12(16(11)19-4)7-8-15(17)20-14/h5,7-9H,6H2,1-4H3
SMILES (canonical and isomeric)
CC(=CCC1=C(C=C2C(=C1OC)C=CC(=O)O2)OC)C

Synonyms

  • 5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one
  • 2H-1-Benzopyran-2-one, 5,7-dimethoxy-6-(3-methyl-2-butenyl)-
  • Toddaculine
  • 6-(3-Methyl-2-butenyl)-5,7-dimethoxy-2H-1-benzopyran-2-one
  • 5,7-Dimethoxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one
  • 5,7-Dimethoxy-6-(3'-methyl-2'-butenyl)coumarin
  • 5,7-Dimethoxy-6-(3-methylbut-2-en-1-yl)-2H-1-benzopyran-2-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
274.32 g/molcalc.
Exact mass
274.1205 Dacalc.
LogP (octanol/water)
3.32calc.
Topological polar surface area
48.67 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
20calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.31calc.
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=c1ccc2ccccc2o1

O=c1ccc2ccccc2o1

2 rings, 11 atoms, the Coumarin ring system.

3,845 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.

Toddaculin suppliers

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

Frequently asked questions

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

What is Toddaculin?

2H-1-Benzopyran-2-one, 5,7-dimethoxy-6-(3-methyl-2-butenyl)- has been reported in Toddalia asiatica and Zanthoxylum asiaticum.

What is the CAS number of Toddaculin?

The CAS registry number of Toddaculin is 4335-12-0.

What is the molecular formula and weight of Toddaculin?

The molecular formula of Toddaculin is C16H18O4 and its molar mass is 274.32 g/mol.

What is Toddaculin used for?

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

Is Toddaculin hazardous?

No GHS hazard classification for Toddaculin 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 Toddaculin?

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

Where can I buy Toddaculin?

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

What is the price of Toddaculin?

Suppliers quote Toddaculin 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 Toddaculin

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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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