Ibufenac
Also known as 4-Isobutylphenylacetic acid, Dytransin, Ibunac
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 synonymsShow fewer 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.Computed value |
|---|---|
| Exact mass | 192.115 Dacalc.Computed value |
| LogP (octanol/water) | 2.51calc.Computed value |
| Topological polar surface area | 37.3 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 1calc.Computed value |
| Rotatable bonds | 4calc.Computed value |
| Heavy atoms | 14calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.42calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
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 aidIbufenac suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, NanjingUnclaimed profileIbufenacGrade, purity and minimum order on requestPrice on request
- China, WuhanUnclaimed profileIbufenacGrade, purity and minimum order on requestPrice on request
- Germany, KielUnclaimed profileIbufenacGrade, purity and minimum order on requestPrice on request
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.
Send one request to many suppliers
Choose up to 10 suppliers or let us match your request. Compare quotes side by side, free.
Ibufenac price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
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.
Aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and…
- India * partner reported14.5%
- United States12.2%
- Germany8.6%
* Partner reported figures, a lower bound.
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?
What is the CAS number of Ibufenac?
What is the molecular formula and weight of Ibufenac?
What is Ibufenac used for?
Is Ibufenac hazardous?
What is the HS code of Ibufenac?
Where can I buy Ibufenac?
What is the price of Ibufenac?
Guides for buyers
Practical guides that help when you source, ship or handle Ibufenac
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
Get quotes for Ibufenac
Embed this structure on your websiteShow code
Paste this code into your page to show the 2D structure of Ibufenac 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/ibufenac-1553-60-2" title="Ibufenac 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>Explore more in Analgesics and anti-inflammatories or HS code 291639