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Ibufenac chemical structure, C12H16O2, CAS 1553-60-2
2D chemical structure

Key facts

What buyers check first

CAS number
1553-60-2
Formula
C12H16O2
Molar mass
192.26 g/mol
EC number
216-302-2
HS code
291639
Category
Analgesics and anti-inflammatories

What is Ibufenac?

Plain description, key identifiers and synonyms

Ibufenac is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 4-isobutylphenyl group. Although it was shown to be effective in treatment of rheumatoid arthritis, the clinical use of ibufenac was discontinued due to hepatotoxic side-effects. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor and a hepatotoxic agent. It is functionally related to an acetic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[4-(2-methylpropyl)phenyl]acetic acid
CAS number
1553-60-2 CAS number cross-checked
EC number
216-302-2
Molecular formula
C12H16O2
UNII
5V4WIX44VI
MDL number
MFCD00864374
InChIKey
CYWFCPPBTWOZSF-UHFFFAOYSA-N
InChI
InChI=1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14)
SMILES (canonical and isomeric)
CC(C)CC1=CC=C(C=C1)CC(=O)O

Synonyms

  • 4-Isobutylphenylacetic acid
  • Dytransin
  • Ibunac
  • Isodilan
  • (p-Isobutylphenyl)acetic acid
  • Benzeneacetic acid, 4-(2-methylpropyl)-
  • Ibufenaco
  • 4-(2-Methylpropyl)benzeneacetic acid
  • Ibufenacum
  • RD 11654
  • 2-(4-isobutylphenyl)acetic acid
  • Medirex
  • 2-[4-(2-methylpropyl)phenyl]acetic acid
  • (4-isobutylphenyl)acetic acid
  • 4-iso-Butylphenylacetic acid
  • (p-isobutylphenyl)aceticacid,
  • ACETIC ACID, (p-ISOBUTYLPHENYL)-
  • [4-(2-methylpropyl)phenyl]acetic acid
  • (p-isobutylphenyl)aceticacid
  • p-Isobutyl-alpha-toluic acid
  • p-isobutylphenylacetic acid
  • Kyselina p-isobutylfenyloctova
  • Dytransin (TN)
  • (p-isobutylphenyl)-aceticaci
  • Ibufenac (JAN/USAN/INN)
Show all 26 synonyms
  • Ibufenac, >=95% (HPLC)

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
192.26 g/molcalc.
Exact mass
192.115 Dacalc.
LogP (octanol/water)
2.51calc.
Topological polar surface area
37.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
4calc.
Heavy atoms
14calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.42calc.
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

Ibufenac suppliers

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All 3 suppliers

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Where suppliers are based

3 suppliers in 2 countries

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Ibufenac 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

  • aetiopathogenetic role
  • analgesic
  • anti-inflammatory agent
  • anti-inflammatory drug
  • antirheumatic drug
  • enzyme inhibitor
  • hepatotoxic agent
  • non-narcotic analgesic
  • non-steroidal anti-inflammatory drug
  • pharmaceutical

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 Ibufenac is traded under.

HS 2916.39Indicative HS code

Aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…

World exports in 2024
$706M
−6.8% vs 2023, imports $714M
2019 to 2024
Top exporters
  1. China49.0%
  2. India * partner reported16.2%
  3. Germany13.2%
Top importers
  1. India * partner reported14.5%
  2. United States12.2%
  3. Germany8.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Ibufenac?

Ibufenac is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 4-isobutylphenyl group. Although it was shown to be effective in treatment of rheumatoid arthritis, the clinical use of ibufenac was discontinued due to hepatotoxic side-effects.

What is the CAS number of Ibufenac?

The CAS registry number of Ibufenac is 1553-60-2.

What is the molecular formula and weight of Ibufenac?

The molecular formula of Ibufenac is C12H16O2 and its molar mass is 192.26 g/mol.

What is Ibufenac used for?

Known uses and roles of Ibufenac include analgesics and antipyretics in pharmaceuticals, anti-inflammatories in pharmaceuticals, aetiopathogenetic role, analgesic, anti-inflammatory agent and 7 more.

Is Ibufenac hazardous?

Ibufenac 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 Ibufenac?

Ibufenac is usually classified under HS code 291639 (Aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ibufenac?

CompoundList lists 3 suppliers of Ibufenac in China and Germany. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Ibufenac?

Suppliers quote Ibufenac 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 Ibufenac

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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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