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Aromatic building blocks

Hydroxyibuprofen

Also known as 2-Hydroxyibuprofen, Ibuprofen OH, 2,4'-(2-Hydroxy-2-methylpropyl)phenylpropionic acid

CAS 51146-55-5Formula C13H18O3Molar mass 222.28 g/molEC 641-440-9
GHS signal word: Warning. Pictograms: Harmful or irritant 2 suppliers listed
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Hydroxyibuprofen chemical structure, C13H18O3, CAS 51146-55-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
51146-55-5
Formula
C13H18O3
Molar mass
222.28 g/mol
EC number
641-440-9
HS code
291819
Category
Aromatic building blocks

What is Hydroxyibuprofen?

Plain description, key identifiers and synonyms

2-hydroxyibuprofen is a hydroxy monocarboxylic acid that is ibuprofen in which the methine proton on the isobutyl group has been replaced by a hydroxy group. It has a role as a drug metabolite. It is a tertiary alcohol and a hydroxy monocarboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[4-(2-hydroxy-2-methylpropyl)phenyl]propanoic acid
CAS number
51146-55-5 CAS number cross-checked
EC number
641-440-9
Molecular formula
C13H18O3
UNII
2KHZ9ELM84
MDL number
MFCD08275592
InChIKey
UJHKVYPPCJBOSG-UHFFFAOYSA-N
InChI
InChI=1S/C13H18O3/c1-9(12(14)15)11-6-4-10(5-7-11)8-13(2,3)16/h4-7,9,16H,8H2,1-3H3,(H,14,15)
SMILES (canonical and isomeric)
CC(C1=CC=C(C=C1)CC(C)(C)O)C(=O)O

Synonyms

  • 2-Hydroxyibuprofen
  • Ibuprofen OH
  • 2,4'-(2-Hydroxy-2-methylpropyl)phenylpropionic acid
  • Benzeneacetic acid, 4-(2-hydroxy-2-methylpropyl)-alpha-methyl-
  • rac 2-Hydroxy Ibuprofen
  • 2-Hydroxy Ibuprofen
  • 2-(4-(2-Hydroxy-2-methylpropyl)phenyl)propanoic acid
  • 2-[4-(2-hydroxy-2-methylpropyl)phenyl]Propanoic acid
  • 2-[4-(2-Hydroxy-2-methylpropyl)phenyl]propionic acid
  • (+/-)-2-Hydroxy Ibuprofen
  • Ibuprofen-2-hydroxy
  • Ibuprofen-2-hydroxy 100 microg/mL in Acetonitrile
  • 2-[4-(2-Hydroxy-2-methylpropyl)phenyl]propanoic Acid (2-Hydroxyibuprofen)
  • 4-(2-hydroxy-2-methylpropyl)-alpha-methyl-benzeneacetic acid
  • Hydroxy-ibuprofen, 2-
  • ()-2-Hydroxy Ibuprofen
  • (?)-2-hydroxy Ibuprofen
  • 2-[4-(3-Hydroxy-2-methylpropyl)phenyl]propionic acid
  • 2-[4-(2-hydroxy-2-methyl-propyl)phenyl]propanoic Acid
  • Ibuprofen-2-hydroxy 100 |Ig/mL in Acetonitrile
  • 2-Hydroxyibuprofen Solution in Methanol, 100ug/mL
  • 2-(4-(2-Hydroxy-2-methylpropyl)phenyl)propanoicacid
  • 2-Hydroxyibuprofen, VETRANAL(TM), analytical standard
  • 4-(2-Hydroxy-2-methylpropyl)-a-methyl-benzeneacetic 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
222.28 g/molcalc.
Exact mass
222.1256 Dacalc.
LogP (octanol/water)
2.19calc.
Topological polar surface area
57.53 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
4calc.
Heavy atoms
16calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
Formal charge
0calc.
Stereocentres
1calc.
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

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
  • H412Harmful to aquatic life with long lasting effects.
Precautionary statements (20)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • 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).
  • P330Rinse mouth.
  • 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

Hydroxyibuprofen suppliers

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

All 2 suppliers

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

2 suppliers in 2 countries

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Hydroxyibuprofen price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • animal metabolite
  • drug metabolite
  • eukaryotic metabolite
  • human metabolite
  • human xenobiotic metabolite
  • mammalian metabolite
  • metabolite
  • xenobiotic 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 Hydroxyibuprofen is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, their…

World exports in 2024
$1.37B
+0.5% vs 2023, imports $1.18B
2019 to 2024
Top exporters
  1. China23.7%
  2. Italy14.7%
  3. India * partner reported12.0%
Top importers
  1. Germany11.7%
  2. South Korea9.8%
  3. Italy9.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Hydroxyibuprofen?

2-hydroxyibuprofen is a hydroxy monocarboxylic acid that is ibuprofen in which the methine proton on the isobutyl group has been replaced by a hydroxy group. It has a role as a drug metabolite. It is a tertiary alcohol and a hydroxy monocarboxylic acid.

What is the CAS number of Hydroxyibuprofen?

The CAS registry number of Hydroxyibuprofen is 51146-55-5.

What is the molecular formula and weight of Hydroxyibuprofen?

The molecular formula of Hydroxyibuprofen is C13H18O3 and its molar mass is 222.28 g/mol.

What is Hydroxyibuprofen used for?

Known uses and roles of Hydroxyibuprofen include building blocks in research and laboratory, screening compounds in research and laboratory, animal metabolite, drug metabolite, eukaryotic metabolite and 5 more.

Is Hydroxyibuprofen hazardous?

Hydroxyibuprofen carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Hydroxyibuprofen?

Hydroxyibuprofen is usually classified under HS code 291819 (Carboxylic acids with alcohol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Hydroxyibuprofen?

CompoundList lists 2 suppliers of Hydroxyibuprofen in China and France. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Hydroxyibuprofen?

Suppliers quote Hydroxyibuprofen 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 Hydroxyibuprofen

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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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