CompoundList
Sign in
Impurities and reference standards

Isovanillin

Also known as 3-Hydroxy-4-methoxybenzaldehyde, Isovanilline, 5-Formylguaiacol

CAS 621-59-0Formula C8H8O3Molar mass 152.15 g/molEC 210-694-9
GHS signal word: Warning. Pictograms: Harmful or irritant 44 suppliers listed
Get quotes Compare 44 suppliers
Isovanillin chemical structure, C8H8O3, CAS 621-59-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
621-59-0
Formula
C8H8O3
Molar mass
152.15 g/mol
EC number
210-694-9
HS code
291249
Category
Impurities and reference standards

What is Isovanillin?

Plain description, key identifiers and synonyms

Isovanillin is a member of the class of benzaldehydes that is 4-methoxybenzaldehyde substituted by a hydroxy group at position 3. It is an inhibitor of aldehyde oxidase. It has a role as a HIV protease inhibitor, an antifungal agent, an antidiarrhoeal drug, an EC 1.2.3.1 (aldehyde oxidase) inhibitor, an animal metabolite and a plant metabolite. It is a member of benzaldehydes, a monomethoxybenzene and a member of phenols.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
3-hydroxy-4-methoxybenzaldehyde
CAS number
621-59-0 CAS number cross-checked
EC number
210-694-9
Molecular formula
C8H8O3
UNII
4A9N90H9X6
MDL number
MFCD00003369
InChIKey
JVTZFYYHCGSXJV-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-5,10H,1H3
SMILES (canonical and isomeric)
COC1=C(C=C(C=C1)C=O)O

Synonyms

  • 3-Hydroxy-4-methoxybenzaldehyde
  • Isovanilline
  • 5-Formylguaiacol
  • 3-Hydroxy-p-anisaldehyde
  • Benzaldehyde, 3-hydroxy-4-methoxy-
  • iso-Vanillin
  • Isovanicaline
  • 3-Hydroxy-4-methoxy-benzaldehyde
  • 3-Hydroxyanisaldehyde
  • p-Anisaldehyde, 3-hydroxy-
  • Oxy-3 methoxy-4 benzaldehyde
  • 3-hydroxy-4-anisaldehyde
  • 4-Methoxy-3-hydroxybenzaldehyde
  • isovaniline
  • m-hydroxy-p-methoxybenzaldehyde
  • 3-hydroxy-4-methoxy benzaldehyde
  • 5-formyl-2-methoxyphenol
  • 3-Hydroxy-para-anisaldehyde
  • isovanilin
  • 3-Hydroxy-4-methoxybenzaldehyde-d3
  • 2-Methoxy-5-formylphenol
  • Entacapone Impurity 79
  • Isovanillic aldehyde
  • 3-OH-4-MeO benzaldehyde
  • Isovanillin, >=95.0%
Show all 35 synonyms
  • 4-08-00-01764 (Beilstein Handbook Reference)
  • 3-hydroxy4-methoxybenzaldehyde
  • 3-hydroxy-4methoxy-benzaldehyde
  • 4-methoxy-5-hydroxybenzaldehyde
  • m-hydroxy-p-methoxy benzaldehyde
  • 4-Methoxy-3-hydroxy-benzaldehyde
  • 3-hydroxy-4-methoxyl benzaldehyde
  • 3-hydroxy-4-methoxy- benzaldehyde
  • 3-Hydroxy-4-methoxybenzaldehyde, 99%
  • 3-Hydroxy-4-methoxybenzaldehyde (NIST) negative

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
152.15 g/molcalc.
Exact mass
152.0473 Dacalc.
LogP (octanol/water)
1.21calc.
Topological polar surface area
46.53 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
11calc.
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

Isovanillin suppliers

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

All 44 suppliers
30 of 30 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

44 suppliers in 8 countries

Send one request to many suppliers

Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.

Choose suppliersPost a request

Isovanillin 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.

Get latest price

Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Enzyme Inhibitors

Roles

  • HIV protease inhibitor
  • animal metabolite
  • anti-HIV agent
  • antidiarrhoeal drug
  • antifungal agent
  • antimicrobial agent
  • antiviral agent
  • enzyme inhibitor
  • eukaryotic metabolite
  • gastrointestinal drug
  • metabolite
  • pharmaceutical
  • plant metabolite
  • protease inhibitor

Regulatory status

Inventories, regulations and trade controls that list this substance

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 Isovanillin is traded under.

HS 2912.49Indicative HS code

Aldehyde-alcohols, aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen…

World exports in 2024
$159M
−9.6% vs 2023, imports $171M
2019 to 2024
Top exporters
  1. China36.7%
  2. India * partner reported27.5%
  3. Germany13.9%
Top importers
  1. China16.0%
  2. United States15.7%
  3. India * partner reported9.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Isovanillin?

Isovanillin is a member of the class of benzaldehydes that is 4-methoxybenzaldehyde substituted by a hydroxy group at position 3. It is an inhibitor of aldehyde oxidase.

What is the CAS number of Isovanillin?

The CAS registry number of Isovanillin is 621-59-0.

What is the molecular formula and weight of Isovanillin?

The molecular formula of Isovanillin is C8H8O3 and its molar mass is 152.15 g/mol.

What is Isovanillin used for?

Known uses and roles of Isovanillin include antivirals in pharmaceuticals, biochemical and pharmacological tools in research and laboratory, hiv protease inhibitor, animal metabolite, anti-hiv agent and 12 more.

Is Isovanillin hazardous?

Isovanillin 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 Isovanillin?

Isovanillin is usually classified under HS code 291249 (Aldehyde-alcohols, aldehyde-ethers, aldehyde-phenols and aldehydes with other oxygen…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Isovanillin?

CompoundList lists 44 suppliers of Isovanillin in China, India, United States, Canada and 4 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Isovanillin in India?

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

What is the price of Isovanillin?

Suppliers quote Isovanillin 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 Isovanillin

Get quotes for Isovanillin

Post one free request with your grade, quantity and destination. Matching suppliers send quotes you can compare side by side.
Post a request Sell Isovanillin
Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
Embed this structure on your websiteShow code

Paste this code into your page to show the 2D structure of Isovanillin with a 3D view, its CAS number where known and a link back to this page. Free to use with the link kept.

<iframe src="https://www.compoundlist.com/embed/structure/isovanillin-621-59-0" title="Isovanillin structure on CompoundList" width="360" height="420" style="border:1px solid #E7E2DA;border-radius:12px;max-width:100%" loading="lazy" referrerpolicy="strict-origin-when-cross-origin"></iframe>
Preview the embed

Explore more in Impurities and reference standards or HS code 291249

44 suppliers
Free quotes, contact stays private
Get quotes