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Impurities and reference standards

Isovanillic acid

Also known as 3-Hydroxy-4-methoxybenzoic acid, Acide isovanillique, 3-Hydroxy-p-anisic acid

CAS 645-08-9Formula C8H8O4Molar mass 168.15 g/molEC 211-430-5
GHS signal word: Warning. Pictograms: Harmful or irritant 12 suppliers listed
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Isovanillic acid chemical structure, C8H8O4, CAS 645-08-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
645-08-9
Formula
C8H8O4
Molar mass
168.15 g/mol
EC number
211-430-5
HS code
291899
Category
Impurities and reference standards

What is Isovanillic acid?

Plain description, key identifiers and synonyms

3-hydroxy-4-methoxybenzoic acid is a methoxybenzoic acid that is 4-methoxybenzoic acid bearing a hydroxy substituent at position 3. It has a role as an antibacterial agent and a plant metabolite. It is a methoxybenzoic acid and a monohydroxybenzoic acid. It is a conjugate acid of a 3-hydroxy-4-methoxybenzoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-hydroxy-4-methoxybenzoic acid
CAS number
645-08-9 CAS number cross-checkedOther or deprecated CAS: 74309-78-7
EC number
211-430-5
Molecular formula
C8H8O4
UNII
A8D1DUX2PR
MDL number
MFCD00002507
InChIKey
LBKFGYZQBSGRHY-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)
SMILES (canonical and isomeric)
COC1=C(C=C(C=C1)C(=O)O)O

Synonyms

  • 3-Hydroxy-4-methoxybenzoic acid
  • Acide isovanillique
  • 3-Hydroxy-p-anisic acid
  • 3-Hydroxyanisic acid
  • Benzoic acid, 3-hydroxy-4-methoxy-
  • p-Anisic acid, 3-hydroxy-
  • 3-Hydroxy-4-methoxy-benzoic acid
  • 4-methoxy-3-oxidanyl-benzoic acid
  • lsovanillic acid
  • 3-Hydroxy-4-Methoxy Benzoic Acid
  • Mebeverine Impurity 28
  • Isovanillic acid, 97%
  • 3-hydroxyl-4-methoxybenzoic acid
  • 3-hydroxy-4-(methyloxy)benzoic 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
168.15 g/molcalc.
Exact mass
168.0423 Dacalc.
LogP (octanol/water)
1.1calc.
Topological polar surface area
66.76 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
1calc.
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, 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

Isovanillic acid suppliers

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

All 12 suppliers
12 of 12 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

12 suppliers in 7 countries

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Isovanillic acid price

Indicative price range per kg from live supplier offers

No published prices right now

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

Roles

  • antibacterial agent
  • antimicrobial agent
  • eukaryotic metabolite
  • metabolite
  • plant 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 Isovanillic acid is traded under.

HS 2918.99Indicative HS code

Carboxylic acids, with additional oxygen function (not alcohol, phenol, aldehyde or ketone)…

World exports in 2024
$1.46B
−1.1% vs 2023, imports $1.54B
2019 to 2024
Top exporters
  1. China40.0%
  2. India * partner reported26.6%
  3. Germany8.0%
Top importers
  1. United States25.6%
  2. Brazil6.7%
  3. Argentina5.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

Quick answers about Isovanillic acid, based on the data on this page

What is Isovanillic acid?

3-hydroxy-4-methoxybenzoic acid is a methoxybenzoic acid that is 4-methoxybenzoic acid bearing a hydroxy substituent at position 3. It has a role as an antibacterial agent and a plant metabolite. It is a methoxybenzoic acid and a monohydroxybenzoic acid. It is a conjugate acid of a 3-hydroxy-4-methoxybenzoate.

What is the CAS number of Isovanillic acid?

The CAS registry number of Isovanillic acid is 645-08-9. Other or deprecated CAS numbers: 74309-78-7.

What is the molecular formula and weight of Isovanillic acid?

The molecular formula of Isovanillic acid is C8H8O4 and its molar mass is 168.15 g/mol.

What is Isovanillic acid used for?

Known uses and roles of Isovanillic acid include antibacterial agent, antimicrobial agent, eukaryotic metabolite, metabolite and plant metabolite.

Is Isovanillic acid hazardous?

Isovanillic acid 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 Isovanillic acid?

Isovanillic acid is usually classified under HS code 291899 (Carboxylic acids with additional oxygen function and their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isovanillic acid?

CompoundList lists 12 suppliers of Isovanillic acid in China, Hong Kong, United States, Germany and 3 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Isovanillic acid in India?

1 supplier in India list Isovanillic acid on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Isovanillic acid?

Suppliers quote Isovanillic acid 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 Isovanillic acid

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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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