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Screening compounds

Vanillil

Also known as Ethanedione, bis(4-hydroxy-3-methoxyphenyl)-, 1,2-bis(4-hydroxy-3-methoxyphenyl)ethane-1,2-dione, Bis(4-hydroxy-3-methoxyphenyl)ethane-1,2-dione

CAS 5463-22-9Formula C16H14O6Molar mass 302.28 g/mol
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Vanillil chemical structure, C16H14O6, CAS 5463-22-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5463-22-9
Formula
C16H14O6
Molar mass
302.28 g/mol
HS code
291450
Category
Screening compounds

What is Vanillil?

Plain description, key identifiers and synonyms

Vanillil is a chemical substance with the molecular formula C16H14O6 and a molar mass of 302.28 g/mol. Its CAS registry number is 5463-22-9. The IUPAC name is 1,2-bis(4-hydroxy-3-methoxyphenyl)ethane-1,2-dione.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1,2-bis(4-hydroxy-3-methoxyphenyl)ethane-1,2-dione
CAS number
5463-22-9 CAS number cross-checked
Molecular formula
C16H14O6
MDL number
MFCD30533834
InChIKey
MJHMXBDRUWSJOS-UHFFFAOYSA-N
InChI
InChI=1S/C16H14O6/c1-21-13-7-9(3-5-11(13)17)15(19)16(20)10-4-6-12(18)14(8-10)22-2/h3-8,17-18H,1-2H3
SMILES (canonical and isomeric)
COC1=C(C=CC(=C1)C(=O)C(=O)C2=CC(=C(C=C2)O)OC)O

Synonyms

  • Ethanedione, bis(4-hydroxy-3-methoxyphenyl)-
  • 1,2-bis(4-hydroxy-3-methoxyphenyl)ethane-1,2-dione
  • Bis(4-hydroxy-3-methoxyphenyl)ethane-1,2-dione
  • Ethanedione,bis(4-hydroxy-3-methoxyphenyl)-
  • 4,4'-dihydroxy-3,3'-dimethoxy-benzil
  • 1,2-bis(4-hydroxy-3-methoxy-phenyl)ethane-1,2-dione
  • 1,2-Bis(4-hydroxy-3-methoxyphenyl)-1,2-ethanedione

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
302.28 g/molcalc.
Exact mass
302.079 Dacalc.
LogP (octanol/water)
2.18calc.
Topological polar surface area
93.06 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
5calc.
Heavy atoms
22calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.13calc.
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=C(C(=O)c1ccccc1)c1ccccc1

O=C(C(=O)c1ccccc1)c1ccccc1

2 rings, 16 atoms, the Benzil ring system.

187 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.

Vanillil suppliers

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

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Vanillil price

Indicative price range per kg from live supplier offers

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

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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 Vanillil is traded under.

HS 2914.50Indicative HS code

Ketone-phenols and ketones with other oxygen function

World exports in 2024
$438M
+10.9% vs 2023, imports $420M
2019 to 2024
Top exporters
  1. China50.5%
  2. India * partner reported11.6%
  3. United States11.3%
Top importers
  1. United States20.8%
  2. Germany10.0%
  3. Netherlands8.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Vanillil?

Vanillil is a chemical substance with the molecular formula C16H14O6 and a molar mass of 302.28 g/mol. Its CAS registry number is 5463-22-9. The IUPAC name is 1,2-bis(4-hydroxy-3-methoxyphenyl)ethane-1,2-dione.

What is the CAS number of Vanillil?

The CAS registry number of Vanillil is 5463-22-9.

What is the molecular formula and weight of Vanillil?

The molecular formula of Vanillil is C16H14O6 and its molar mass is 302.28 g/mol.

What is Vanillil used for?

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

Is Vanillil hazardous?

No GHS hazard classification for Vanillil 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 Vanillil?

Vanillil is usually classified under HS code 291450 (Ketone-phenols and ketones with other oxygen function). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Vanillil?

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

What is the price of Vanillil?

Suppliers quote Vanillil 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 Vanillil

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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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