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Analgesics and anti-inflammatories

Acetovanillone

Also known as apocynin, 4'-Hydroxy-3'-methoxyacetophenone, 1-(4-Hydroxy-3-methoxyphenyl)ethanone

CAS 498-02-2Formula C9H10O3Molar mass 166.18 g/molEC 207-854-5
GHS signal word: Warning. Pictograms: Harmful or irritant 115 suppliers listed
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Acetovanillone chemical structure, C9H10O3, CAS 498-02-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
498-02-2
Formula
C9H10O3
Molar mass
166.18 g/mol
EC number
207-854-5
HS code
291450
Category
Analgesics and anti-inflammatories

What is Acetovanillone?

Plain description, key identifiers and synonyms

Apocynin is an aromatic ketone that is 1-phenylethanone substituted by a hydroxy group at position 4 and a methoxy group at position 3. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antirheumatic drug, a peripheral nervous system drug, an EC 1.6.3.1. [NAD(P)H oxidase (H2O2-forming)] inhibitor and a plant metabolite. It is a member of acetophenones, a methyl ketone and an aromatic ketone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-(4-hydroxy-3-methoxyphenyl)ethanone
CAS number
498-02-2 CAS number cross-checkedOther or deprecated CAS: 16522-48-8
EC number
207-854-5
Molecular formula
C9H10O3
UNII
B6J7B9UDTR
MDL number
MFCD00008747
INCI name
APOCYNIN
InChIKey
DFYRUELUNQRZTB-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3
SMILES (canonical and isomeric)
CC(=O)C1=CC(=C(C=C1)O)OC

Synonyms

  • apocynin
  • 4'-Hydroxy-3'-methoxyacetophenone
  • 1-(4-Hydroxy-3-methoxyphenyl)ethanone
  • Acetoguaiacone
  • 4-Acetyl-2-methoxyphenol
  • Apocynine
  • Acetoguaiacon
  • 1-(4-hydroxy-3-methoxyphenyl)ethan-1-one
  • Ethanone, 1-(4-hydroxy-3-methoxyphenyl)-
  • 4-Hydroxy-3-methoxyphenyl methyl ketone
  • 4-Hydroxy-3-methoxyacetophenone
  • Acetovanilone
  • Acetovanyllon
  • 3-Methoxy-4-hydroxyacetophenone
  • Acetophenone, 4'-hydroxy-3'-methoxy-
  • 3-Metoksy-4-hydroksyacetofenon
  • 2-methoxy-4-acetylphenol
  • Acetovanillon
  • 1-(4-hydroxy-3-methoxy-phenyl)ethanone
  • 1-(4-hydroxy-3-methoxy-phenyl)-ethanone
  • 1-(4-Hydroxy-3-methoxyphenyl)-1-ethanone
  • 1-acetyl-4-hydroxy-3-methoxybenzene
  • 4-Acetylguaiacol
  • Apocynin (Standard)
  • apocynin (acetovanillon
Show all 32 synonyms
  • Phenol, 4-acetyl-2-methoxy
  • 4-08-00-01814 (Beilstein Handbook Reference)
  • 4-hydroxy3-methoxyacetophenone
  • 4hydroxy-3-methoxyacetophenone
  • Acetovanillone, >=98%, FG
  • 4-hydroxy -3-methoxyacetophenone
  • 4-hydroxy-3-methoxy-acetophenone

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
166.18 g/molcalc.
Exact mass
166.063 Dacalc.
LogP (octanol/water)
1.6calc.
Topological polar surface area
46.53 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.22calc.
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, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off 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

Acetovanillone suppliers

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

All 115 suppliers
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Where suppliers are based

115 suppliers in 16 countries

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Acetovanillone 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

Cosmetic ingredient, INCI name APOCYNIN(skin conditioning - miscellaneous)

Pharmacological actions

  • Anti-Inflammatory Agents, Non-Steroidal
  • Antioxidants
  • Enzyme Inhibitors

Roles

  • analgesic
  • anti-asthmatic agent
  • anti-inflammatory agent
  • anti-inflammatory drug
  • antirheumatic drug
  • cardiovascular drug
  • enzyme inhibitor
  • eukaryotic metabolite
  • metabolite
  • non-narcotic analgesic
  • non-steroidal anti-inflammatory drug
  • peripheral nervous system drug
  • pharmaceutical
  • plant metabolite

Functional uses

  • Flavouring and nutrient
  • Fragrance

Cosmetic functions

  • Skin conditioning - miscellaneous

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Acetovanillone 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 Acetovanillone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Acetovanillone?

Apocynin is an aromatic ketone that is 1-phenylethanone substituted by a hydroxy group at position 4 and a methoxy group at position 3. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antirheumatic drug, a peripheral nervous system drug, an EC 1.6.3.1.

What is the CAS number of Acetovanillone?

The CAS registry number of Acetovanillone is 498-02-2. Other or deprecated CAS numbers: 16522-48-8.

What is the molecular formula and weight of Acetovanillone?

The molecular formula of Acetovanillone is C9H10O3 and its molar mass is 166.18 g/mol.

What is Acetovanillone used for?

Known uses and roles of Acetovanillone include analgesics and antipyretics in pharmaceuticals, anti-inflammatories in pharmaceuticals, skin conditioning agents in cosmetics and personal care, biochemical and pharmacological tools in research and laboratory, analgesic and 19 more.

Is Acetovanillone hazardous?

Acetovanillone carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Acetovanillone?

Acetovanillone 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 Acetovanillone?

CompoundList lists 115 suppliers of Acetovanillone in China, United States, Germany, United Kingdom and 12 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Acetovanillone in India?

5 suppliers in India list Acetovanillone on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Acetovanillone?

Suppliers quote Acetovanillone 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 Acetovanillone

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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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